1. "Multiphysics in Nanostructures"

Y. Umeno, T. Shimada, Y. Kinoshita and T. Kitamura

(Nanostructure Science and Technology, Series Editor: David J. Lockwood, Springer (2017), ISBN: 978-4-431-56571-0 (print), 978-4-431-56573-4 (eBook), doi: 10.1007/978-4-431-56573-4)

1."Molecular Dynamics Study on Grain Boundary Diffusion in Aluminum under
Hydrostatic Stress"

T. Kitamura, Y. Umeno and R. Ohtani

(JSME International Journal A, 41-1 (1998-1), pp.10-15)

2."Ab
Initio Simulation on Ideal Shear Strength of Silicon"

Y. Umeno and T. Kitamura

(Materials Science and Engineering: B, 88-1(2002),
pp.79-84)

3. "Optimization of Interatomic Potential for
Si/SiO_{2} System Based on Force Matching"

Y. Umeno, T. Kitamura, K. Date, M. Hayashi and T. Iwasaki

(Computational
Materials Science, Vol.25-3(2002), pp.447-456)

4. "Validity of Effective
Medium Theory for Aluminum under Tension"

T. Kitamura and Y. Umeno

(Modelling and Simulation in Materials Science and Engineering,
Vol.11(2003), pp.127-136)

5. "Internal Atomic Stress near Sigma 5 Grain
Boundary in Aluminum under Tension"

T. Kitamura and Y. Umeno

(Modelling and Simulation in Materials Science and Engineering, Vol.11
(2003), pp.839-849)

6. "Analytical Evaluation of Unstable Deformation
Criterion of Atomic Structure and its Application to Nanostructure"

T. Kitamura, Y. Umeno and N. Tsuji

(Computational Materials
Science, Vol.29-4 (2004), pp.499-510)

7. "Instability Criterion of
Inhomogeneous Atomic System"

T. Kitamura, Y. Umeno and R. Fushino

(Materials Science and Engineering: A, Vol.379/1-2 (2004),
pp.229-233)

8. "Theoretical Analysis on Electronic Properties of
Zigzag-type Single-Walled Carbon Nanotubes under Radial
Deformation"

Y. Umeno, T. Kitamura and A. Kushima

(Computational Materials Science, Vol.30/3-4 (2004),
pp.283-287)

9. "Metallic-Semiconducting Transition of Single-Walled Carbon Nanotubes
under High Axial Strain"

Y. Umeno, T. Kitamura and A. Kushima

(Computational Materials Science,
Vol.31/1-2 (2004), pp.33-41)

10. "Ab Initio Molecular Dynamics Study on Formation Process of Al
Layers on Si (001) Surface"

Y. Umeno and T. Kitamura

(Modelling and Simulation in Materials Science and
Engineering, Vol.12 (2004) pp.1147-1157)

11. "Near-surface lattice instability in 2D fiber and half-space"

S.V. DMITRIEV, T. Kitamura, J. LI, Y. Umeno, K.i Yashiro and N. Yoshikawa

(Acta Materialia, 53 (2005), pp.1215-1224)

12. "Ab initio study of the surface properties and ideal strength
of (100) silicon thin films"

Y. Umeno, A. Kushima, T. Kitamura, P. Gumbsch and J. LI

(Physical Review B, 72 (2005), art. 165431)

13. "Mechanical instability in non-uniform atomic structure: application
to amorphous metal"

Y. Umeno, T. Kitamura and M.i Tagawa

(Materials
Science and Engineering: A, 462/1-2 (2007), pp.450-455)

14. "Ideal Strength of a Cu Multi-shell Nano-wire"

A. Kushima, Y. Umeno and T. Kitamura

(Modelling and Simulation in Materials Science and
Engineering, Vol.14 (2006), pp. 1031-1039)

15. "Ab initio study of the critical thickness for ferroelectricity
in ultrathin Pt/PbTiO_{3}/Pt
films"

Y. Umeno, B. Meyer, C. Elsässer and P. Gumbsch

(Physical Review B, 74 (2006), art. 060101R)

16. "Ab initio density functional theory study of strain effects on
ferroelectricity at PbTiO_{3} surfaces"

Y. Umeno, T. Shimada, T. Kitamura and C. Elsässer

(Physical Review B, 74 (2006), art.
174111)

17. "Ab initio DFT simulation of ideal shear deformation of SiC polytypes"

Y. Umeno, Y. Kinoshita and T. Kitamura

(Modelling and Simulation in Materials Science and Engineering, 15
(2007), pp.27-37)

*[Selected to MSMSE 2007
Highlights]
*

18. "Ab initio study of surface stress response to charging"

Y. Umeno, C. Elsässer, B. Meyer, P. Gumbsch, M. Nothacker, J. Weissmüller and F. Evers

(Europhysics letters, Vol. 78 (2007), 13001)

19. "Development of interatomic potential for Pb(Zr,Ti)O

T. Kitamura, Y. Umeno, F. Shang, T. Shimada and K. Wakahara

(Journal of Solid Mechanics and Materials Engineering, Vol. 1, No. 12 (2007), pp.1423-1431)

20. "Ab initio study of stress-induced domain wall switching in PbTiO

T. Shimada, Y. Umeno and T. Kitamura

(Physical Review B, 77 (2008), art. 094105)

21. "Effect of normal stress on the ideal shear strength in covalent crystals"

Y. Umeno and M. Cerny

(Physical Review B, 77 (2008), art. 100101R)

22. "Shell model potential for PbTiO

T. Shimada, K. Wakahara, Y. Umeno and T. Kitamura

(Journal of Physics Condensed Matter, Vol. 20 (2008), 325225 (11pp))

23. "Reversible relaxation at charged metal surfaces: An ab initio study"

Y. Umeno, C. Elsässer, B. Meyer, P. Gumbsch and J. Weissmüller

(Europhysics letters, Vol. 84 (2008), 13002 (6 pp))

24. "First-principles approaches to intrinsic strength and deformation of materials: perfect crystals, nano-structures, surfaces and interfaces" [Review paper]

S. Ogata, Y. Umeno and M. Kohyama

(Modelling and Simulation in Materials Science and Engineering, Vol. 17 (2009), 013001 (33 pp))

25. "Ab initio simulation of the tensile strength of silicon nanofilms"

Y. Umeno

(International Journal of Materials Research (formerly: Zeitschrift für Metallkunde), Vol. 100 (2009), pp. 822-825)

26. "Ab initio calculations of ferroelectric instability in PbTiO

Y. Umeno, J.-M. Albina, B. Meyer and C. Elsässer

(Physical Review B, 80 (2009), art. 205122 (8 pp))

27. "Dislocation nucleation in a thin Cu film from molecular dynamics simulations: Instability activation by thermal fluctuations"

Y. Umeno, T. Shimada and T. Kitamura

(Physical Review B, 82 (2010), art. 104108 (11 pp))

28. "Ideal shear strength under compression and tension in C, Si, Ge, and cubic SiC: an ab initio density functional theory study"

Y. Umeno, Y. Shiihara and N. Yoshikawa

(Journal of Physics: Condensed Matter, Vol. 23 (2011), art. 385401 (7pp))

29. "Temperature effect on ideal shear strength of Al and Cu"

A.M. Iskandarov, S.V. Dmitriev and Y. Umeno

(Physical Review B, Vol. 84 (2011), art. 224118 (7 pages))

30. "Analysis of atomistic scale instability of dislocation nucleation from interfaces and surface steps"

Y. Umeno

(Journal of Solid Mechanics and Materials Engineering, Vol. 6 (2012), pp.14-21)

31. "On accurate approach for molecular dynamics study of ideal strength at elevated temperature"

A.M. Iskandarov, S.V. Dmitriev and Y. Umeno

(Journal of Solid Mechanics and Materials Engineering, Vol. 6 (2012), pp.29-38)

32. "Atomistic model calculation of stress-induced domain wall instability in PbTiO

A. Kubo and Y. Umeno

(Journal of Solid Mechanics and Materials Engineering, Vol. 6 (2012), pp.90-98)

33, "Ab initio density functional theory calculation of stacking fault energy and stress in 3C-SiC"

Y. Umeno, K. Yagi and H. Nagasawa

(Physica Status Solidi (b) 249, No.6 (2012) pp.1229-1234, DOI: 10.1002/pssb.201147487)

34. "Ab initio investigation of surface stress response to charging of transition and noble metals"

J.-M. Albina, C. Elsässer, J. Weissmüller, P. Gumbsch and Y. Umeno

(Physical Review B 85 (2012), 125118 (5 pages))

35. "Ab initio calculation of strain effect on the magnetic properties of the thiogermanate

[(CH

J. Wang, J.-M. Albina and Y. Umeno

(Journal of Physics: Condensed Matter 24 (2012), 245501 doi:10.1088/0953-8984/24/24/245501)

36. "Stability and strength of covalent crystals under uniaxial and triaxial loading from first principles"

M. Cerny, P. Rehak, Y. Umeno and J. Pokluda

(Journal of Physics: Condensed Matter, Vol. 25 (2013), 035401 doi:10.1088/0953-8984/25/3/035401)

37. "Influence of normal and shear strain on magnetic anisotropy energy of hcp cobalt: an ab initio study"

J. Wang, J.-M. Albina, T. Iwasaki, H. Moriya and Y. Umeno

(Journal of Materials Research, Vol. 28, No. 12 (2013), pp.1559-1566 doi:10.1557/jmr.2013.149)

38. "Radial deformation and band-gap modulation of pressurized carbon nanotubes"

H. Taira, H. Shima, Y. Umeno and M. Sato

(Coupled Systems Mechanics, Vol. 2, No. 2 (2013), pp.147-157)

39. "Atomistic study of stress-induced switching of 90-degree ferroelectric domain walls in PbTiO

A. Kubo, J.-M. Albina and Y. Umeno

(Modelling and Simulation in Materials Science and Engineering, Vol. 21, No. 6 (2013), 065019 doi:10.1088/0965-0393/21/6/065019)

40. "Theoretical shear strength of BCC and HCP metals"

K. Bukreeva, A. Iskandarov, S. Dmitriev, Y. Umeno and R. Mulyukov

(Physics of the Solid State, Vol. 53, No. 3 (2014), pp. 423-428)

41. "Development of interatomic potential for Nd-Fe-B permanent magnet and evaluation of magnetic anisotropy near interface and grain boundary"

A. Kubo, J. Wang and Y. Umeno

(Modelling and Simulation in Materials Science and Engineering, Vol. 22, No.6 (2014), 065014 doi:10.1088/0965-0393/22/6/065014)

42. "Strength of silicon nanolayers under tensile loading"

A.M. Iskandarov and Y. Umeno

(Letters on Materials 4(2) (2014), pp. 121-123)

43. "Atomistic origin of radial corrugation in few-walled carbon nanotubes: A molecular dynamics study"

Y. Umeno, I. Koike, A. Kusano, H. Shima and M. Sato

(Physica E, Vol. 65 (2015), pp. 135-140 doi:10.1016/j.physe.2014.09.010)

44. "Development of a new dipole model: interatomic potential for yttria-stabilized zirconia for bulk and surface"

A.M. Iskandarov, A. Kubo and Y. Umeno

(Journal of Physics: Condensed Matter 27 (2015) 015005 (9pp) doi:10.1088/0953-8984/27/1/015005)

45. "Ab initio calculations of mechanical properties: Methods and applications" [Review paper]

J. Pokluda, M. Cerny, M. Sob and Y. Umeno

(Progress in Materials Science 73 (2015) pp.127-158 doi:10.1016/j.pmatsci.2015.04.001)

46. "Density functional theory calculation of ideal strength of SiC and GaN: Effect of multi-axial stress"

Y. Umeno, A. Kubo and S. Nagao

(Computational Materials Science 109 (2015) pp.105-110 doi:10.1016/j.commatsci.2015.07.025)

47. "Atomistic modeling study of surface effect on oxide ion diffusion in yttria-stabilized zirconia"

A.M. Iskandarov and Y. Umeno

(Solid State Ionics 279 (2015) pp.46-52 doi:10.1016/j.ssi.2015.07.014)

48. "Synchronization in flickering of three-coupled candle flames"

Keiko Okamoto, Akifumi Kijima, Yoshitaka Umeno and Hiroyuki Shima

(Scientific Reports 6 (2016) 36145 doi:10.1038/srep36145)

49. "Fracture of monolayer boronitrene and its interface with graphene"

Minh-Quy Le and Yoshitaka Umeno

(International Journal of Fracture 205 (2017) pp. 151-168 doi:10.1007/s10704-017-0188-0)

50. "Effect of cation dopants in zirconia on interfacial properties in nickel/zirconia systems: An atomistic modeling study"

A. Iskandarov, Y. Ding and Y. Umeno

(Journal of Physics: Condensed Matter 29 (2017) 045001 doi:10.1088/1361-648X/29/4/045001)

51. "Velocity mode transition of dynamic crack propagation in hyperviscoelastic materials: A continuum model study"

A. Kubo and Y. Umeno

(Scientific Reports 7 (2017) 42305 doi:10.1038/srep42305)

52. "Molecular dynamics study of deformation and fracture in SiC with angular dependent potential model"

A. Kubo, S. Nagao and Y. Umeno

(Computational Materials Science 39 (2017) pp. 89-96 doi:10.1016/j.commatsci.2017.07.023)

53. "Peierls stresses estimated via the Peierls-Nabarro model using ab-initio gamma-surface and their comparison with experiments"

Y. Kamimura, K. Edagawa, A.M. Iskandarov, M. Osawa, Y. Umeno and S. Takeuchi

(Acta Materialia 148 (2018) pp. 355-362 doi:10.1016/j.actamat.2018.02.009)

54. "High-strength submicrometer spherical particles fabricated by pulsed laser melting in liquid"

Mitsuhiko Kondo, Nobuyuki Shishido, Shoji Kamiya, Atsushi Kubo, Yoshitaka Umeno, Yoshie Ishikawa and Naoto Koshizaki

(Particle and Particle Systems Characterization 35 (2018) 1800061 doi:10.1002/ppsc.201800061)

55. "Axial buckling behavior of single-walled carbon nanotubes: Atomistic structural instability analysis"

Masanobu Sato, Hiroyuki Shima, Motohiro Sato and Yoshitaka Umeno

(Physica E 103 (2018) pp. 130-142 doi:10.1016/j.physe.2018.05.035)

56. "On the atomistic energetics of carbon nanotube collapse from AIREBO potential"

Yoshitaka Umeno, Yu Yachi, Motohiro Sato and Hiroyuki Shima

(Physica E 106 (2019) pp. 319-325, doi:10.1016/j.physe.2018.08.006)

57. "Peierls stresses estimated by a discretized Peierls-Nabarro model for a variety of crystals"

K. Edagawa, Y. Kamimura, A.M. Iskandarov, Y. Umeno and S. Takeuchi

(Materialia 5 (2019) 100218, doi:10.1016/j.mtla.2019.100218)

58. "Atomic structure observations and reaction dynamics simulations on triple phase boundaries in solid-oxide fuel cells"

Shu-Sheng Liu, Leton C. Saha, Albert Iskandarov, Takayoshi Ishimoto, Tomokazu Yamamoto, Yoshitaka Umeno, Syo Matsumura and Michihisa Koyama

(Communications Chemistry 2 (2019) 48, doi:10.1038/s42004-019-0148-x)

59. "Construction of master yield stress curves for polycarbonate: a coarse-grained molecular dynamics study"

A. Kubo, J.-M. Albina and Y. Umeno

(Polymer 177 (2019) 84-90, doi:10.1016/j.polymer.2019.05.045)

60. "Prediction of Electronic Structure in Atomistic Model Using Artificial Neural Network"

Y. Umeno and A. Kubo

(Computational Materials Science 168 (2019) 164-171, doi:10.1016/j.commatsci.2019.06.005)

61. "Chemisorption enhancement of carbon and oxygen atoms near the grain boundary on Fe surface: an ab initio study"

I. Lobzenko, Y. Shiihara, Al Sakakibara, Y. Uchiyama, Y. Umeno and Y. Todaka

(Applied Surface Science 493 (2019) 1042-1047, doi.org/10.1016/j.apsusc.2019.06.250)

62. "Buckling-induced band gap modulation in zigzag carbon nanotubes"

Yoshitaka Umeno, Masanobu Sato, Motohiro Sato and Hiroyuki Shima

(Physical Review B 100 (2019) 155116, doi:10.1103/PhysRevB.100.155116)

63. "Crack initiation criteria in EBC under thermal stress"

Emi Kawai, Hideki Kakisawa, Atsushi Kubo, Norio Yamaguchi, Taishi Yokoi, Takashi Akatsu, Satoshi Kitaoka and Yoshitaka Umeno

(Coatings 9 (2019) 697 (27 pages), doi:10.3390/coatings9110697)

64. "Effect of lattice defects on tribological behavior for high friction coefficient under TCP added PAO lubrication in nanostructured steels" (Translation of Japanese paper #25)

K. Tonozuka, Y. Todaka, N. Adachi, M. Horii, K. Toda, M. Mitsuhara, M. Iwasaki, Y. Shiihara, Y. Umeno, M. Nishida and E. Nakajima"

(ISIJ International, Vol. 60, No. 6, in press)

65. "Coarse-grained molecular dynamics simulations of boundary lubrication on nanostructured metal surfaces"

J.-M. Albina, A. Kubo, Y. Shiihara and Y. Umeno

(Tribology Letters, 68 (2020) 49 (9 pages), doi:10.1007/s11249-020-1276-2)

1. "Study on Strength of Microscopic Material by Simulations with Atom and Electron Models"

Y. Umeno and T. Kitamura

(IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Materials Strength, Eds: H. Kitagawa and Y. Shibutani, Kluwer Academic Publishers (2004), pp.391-399)

2. "Ideal Strength of Nano-components"

T. Kitamura, Y. Umeno and A. Kushima

(MSMF-4: Materials Structure & Micromechanics of Fracture (2004.6.23-25, Brno, the Czech Republic), Materials Science Forum, 482 (2005), pp.25-32)

3. "Criterion of Mechanical Instability in Inhomogeneous Atomic System"

Y. Umeno and T. Kitamura

(MSMF-4: Materials Structure & Micromechanics of Fracture (2004.6.23-25, Brno, the Czech Republic), Materials Science Forum, 482 (2005), pp.127-130)

4. "Ab initio study of surface stresses of charged Au films"

Y. Umeno, J. Weissmüller, F. Evers, M. Nothacker, C. Elsässer, B. Meyer and P. Gumbsch

(2006 MRS spring meeting (2006.4.17-21, San Francisco, USA), Proceedings online at www.mrs.org as volume 924E: 0924-Z01-09)

5. "Atomistic analysis of unstable deformation in amorphous metal"

Y. Umeno, M. Tagawa and T. Kitamura

(THERMEC'2006 (2006.7.4-8, Vancouver, Canada), Materials Science Forum, Vols. 539-543 (2007), pp. 1994-1999)

6. "First principles study on ideal strength of Cu multi-shell nano-wire"

T. Kitamura, A. Kushima and Y. Umeno

(10th International Conference on the Mechanical Behavior of Materials (2007.5.27-30, Busan, South Korea), Key Engineering Materials, Vols. 345-346 (2007), pp.919-924)

7. "First-principles study on elastic anomalies in Ag/Al multilayers"

Y. Kinoshita, Y. Umeno and T. Kitamura

(10th International Conference on the Mechanical Behavior of Materials (2007.5.27-30, Busan, South Korea), Key Engineering Materials, Vols. 345-346 (2007), pp.959-962)

8. "Ab initio DFT study of ideal shear strength of polytypes of silicon carbide"

Y. Umeno, Y. Kinoshita and T. Kitamura

(MSMF-5 (Materials Structure & Micromechanics of Fracture), 2007.6.27-29, Brno, the Czech Republic, Strength of Materials, Vol. 40, No. 1 (2008), pp.2-6)

9. "Ab initio study of ideal strength of covalent crystals: Effect of multiaxial stress and structure"

Y. Umeno

(JSMS 2008 M&M international symposium for young researchers, 2008.3.9-10, Wakayama, Japan, Journal of Solid Mechanics and Materials Engineering, Vol. 2, No. 10 (2008), pp.1360-1368)

10. "Ab initio DFT study of ideal strength of crystal and surfaces in covalent systems"

Y. Umeno

(MRS 2008 spring meeting (2008.3.24-28, San Francisco, USA), Proceedings online at www.mrs.org (paper number: 1086-U07-03))

11. "Tight-binding calculation of deformation and band gap of single-walled carbon nanotubes under axial tension and radial compression"

Y. Umeno

(EASEC-12 [The Twelfth East Asia-Pacific Conference on Structural Engineering and Construction] 2011.01.26-28, Hong Kong, Abstract book pp. 665-666, Proceedings: Procedia Engineering Vol. 14 (2011) pp. 2386-2393)

12. "Atomistic simulation of stress-induced grain boundary diffusion: For tin-whisker problem"

Y. Umeno

(THERMEC2011 [International Conference on Processing & Manufacturing of Advanced Materials] 2011.08.01-05, Quebec City, Canada, Proceedings: Mater. Sci. Forum Vols. 706-709 (2012) pp.1545-1549)

13. "Ab initio calculation of mechanical properties of stacking fault in 3C-SiC: Effect of stress and doping"

Y. Umeno, K. Yagi and H.i Nagasawa

(ICSCRM2011 [International Conference on Silicon Carbide and Related Materials] 2011.09.11-16, Cleveland, Ohio, USA, Proceedings: Mater. Sci. Forum 717-720 (2012) pp.415-418)

14. "Molecular dynamics study of radial corrugation in carbon nanotubes"

H. Shima, Y. Umeno and M. Sato

(The 6th International Conference on Advanced Computational Engineering and Experimenting (ACE-X 2012), 2012.07.01-04, Istanbul, Turkey, Mechanics of Advanced Materials and Structures Vol. 22-6 (2015), pp.423-427 doi:10.1080/15376494.2012.761303)

15. "Atomistic model analysis of local and global instabilities in crystals at finite temperature"

Y. Umeno, W. Nöhring, A.M. Iskandarov and E. Bitzek

(MSMF-7: Seventh International Conference on Materials Structure & Micromechanics of Fracture, 2013.07.01-03, Brno University of Technology, Brno, the Czech Republic, Key Engineering Materials, Vols.592-593 (2014) pp.39-42)

16. "Atomistic Modeling and Ab Initio Calculations of Yttria-Stabilized Zirconia"

Y. Umeno, A.M. Iskandarov, A. Kubo and J.-M. Albina

(SOFC-XIII: 13th International Symposium on Solid Oxide Fuel Cells, 2013.10.07-11, Okinawa Convention Center, Ginowan, Okinawa, Japan, ECS Transactions 57-1 (2013) pp.2799-2809)

17. "Develoment of Interatomic Potential for Molecular Dynamics Simulation of Ni/YSZ Anode in Solid Oxide Fuel Cells"

A.M. Iskandarov, A. Kubo and Y. Umeno

(SOFC-XIII: 13th International Symposium on Solid Oxide Fuel Cells, 2013.10.07-11, Okinawa Convention Center, Ginowan, Okinawa, Japan, ECS Transactions 57-1 (2013) pp.2811-2819)

18. "Molecular dynamics study of Ni/YSZ systems based on improved interatomic model"

A.M. Iskandarov and Y. Umeno

(ECS Conference on Electrochemical Energy Conversion & Storage with SOFC-XIV, 2015.07.26-31, Glasgow, Scotland, UK, ECS Transactions 68-1 (2015) pp.2919-2925)

19. "Reactive force-field developement for metal/ceramic SOFC anode modeling"

L.C. Saha, A. Iskandarov, K. Nakao, T. Ishimoto, Y. Umeno and M. Koyama

(ECS Conference on Electrochemical Energy Conversion & Storage with SOFC-XIV, 2015.07.26-31, Glasgow, Scotland, UK, ECS Transactions 68-1 (2015) pp.2943-2949)

20. "Effect of defects and electric field on stress-induced motion of 90-degree domain wall in PbTiO

Y. Umeno and A. Kubo

(ACE-X2015: The 9th International Conference on Advanced Computational Engineering and Experimenting, 2015.6.29-7.2, Munich, Germany, Advanced Structured Materials Vol. 33 (monograph, ISBN:978-981-10-1601-1), Properties and Characterization of Modern Materials, Vol. 33 of the series Advanced Structured Materials (2017), pp. 135-143)

21. "Atomistic modeling analysis of buckling behavior of compressed carbon nanotubes"

Yoshitaka Umeno, Masanobu Sato, Hiroyuki Shima and Motohiro Sato

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic, Solid State Phenomena 258 (2016), pp. 61-64)

22. "Cross-sectional deformation in multi-walled carbon nanotubes under hydrostatic pressure"

Motohiro Sato, Yu Yachi, Ikuyo Koike, Hiroyuki Shima and Yoshitaka Umeno

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic, Solid State Phenomena 258 (2016), pp. 65-68)

23. "Coarse-grained molecular dynamics simulation of fracture problems in polycarbonate"

A. Kubo and Y. Umeno

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic, Solid State Phenomena 258 (2016), pp. 73-76)

24. "Atomistic model analysis of deformation of carbon nanotubes under axial compression"

M. Sato and Y. Umeno

(AEPA2016: 13th Asia-Pacific Symposium on Engineering Plasticity and Its Applications, 2016.12.04-08, Hiroshima University, Hiroshima, Japan, Key Engineering Materials 725 (2016), pp. 451-455)

25. "Atomistic-Level Simulation of Deformation in Polycarbonate"

A. Kubo and Y. Umeno

(AEPA2016: 13th Asia-Pacific Symposium on Engineering Plasticity and Its Applications, 2016.12.04-08, Hiroshima University, Hiroshima, Japan, Key Engineering Materials 725 (2016), pp. 445-450)

26. "Building highly transferable interatomic models for atomistic simulation of device reliability"

Y. Umeno and A. Kubo

(SGEM2016: 16th International Multidisciplinary Scientific Geoconference, 2016.11.02-05, Hofburg, Vienna, Austria, SGEM Conference Proceedings Volume III, Book 6 (ISBN:978-619-7105-79-7, DOI:10.5593/sgem2016HB63), pp. 19-26)"

27. "A reactive force field (ReaxFF) for molecular dynamics simulations of NiO reduction in H

S. Oberhoffer, A. Iskandarov and Y. Umeno

(15th Internationa Symposium on Solid Oxide Fuel Cells (SOFC-XV), 2017.07.23-28, Hollywood, FL, USA, ECS Transactions 78-1 (2017) pp.2765-2771)

28. "Multi-scale, multi-physics approach for solid oxide fuel cell anode reaction"

S. Liu, S. Liu, L.C. Saha, A.M. Iskandarov, Z. Jiao, S. Hara, T. Ishimoto, T. Tada, Y. Umeno, N. Shikazono, S. Matsumura and M. Koyama

(15th Internationa Symposium on Solid Oxide Fuel Cells (SOFC-XV), 2017.07.23-28, Hollywood, FL, USA, ECS Transactions 78-1 (2017) pp.2835-2844)

29. "Theoretical prediction of energy release rate for interface crack initiation by thermal stress in environmental barrier coatings for ceramics"

E. Kawai and Y. Umeno

(6th International Conference on Fracture Fatigue and Wear (FFW2017), 2017.07.26-27, Porto, Portugal, Journal of Physics: Conf. Series 843 (2017) 012004))

30. "Coarse-grained molecular dynamics simulation of deformation and fracture in polycarbonate: Effect of loadin mode, strain rate, temperature and molar mass"

Y. Umeno, A. Kubo and J.-M. Albina

(9th International Conference on Materials Structure and Micromechanics of Fracture (MSMF9), 2019.06.26-28, Brno, Cech Republic, Structural Integrity Procedia 23 (2019) pp.348-353)

31. "First-Principles analysis of deformation and fracture properties of semiconductors"

A. Kubo and Y. Umeno

(9th International Conference on Materials Structure and Micromechanics of Fracture (MSMF9), 2019.06.26-28, Brno, Cech Republic, Structural Integrity Procedia 23 (2019) pp.372-377)

**International conference** (*Invited talk，+Peer-reviewed)

＋1. "Ab Initio Simulation on Ideal Strength of Silicon under Shear
Strain"

Y. Umeno and T. Kitamura

(APCFS&ATEM'01
(2001.10.20-22, Sendai, Japan), Proceedings Vol.2, pp. 929-934)

2. "Ab
Initio Molecular Dynamics Simulation on Structure and Strength of Si/Al
Interface"

Y. Umeno and T. Kitamura

(Nanotech2002: Joint
Meeting of MSM&ICCN (2002.4.22-25, San Juan, Puerto Rico), Proceeding
pp.405-408)

3. "Ab Initio Simulation on Ideal Shear Strength of
Silicon"

Y. Umeno and T. Kitamura

(Nanotech2002: Joint
Meeting of MSM&ICCN (2002.4.22-25, San Juan, Puerto Rico), Proceedings
pp.415-418)

4. "Validity of Effective Medium Theory for Aluminum Grain
Boundary under Tension"

T. Kitamura and Y. Umeno

(ICES2002:
International Conference on Computational Engineering and Science
(2002.7.31-8.2, Reno, USA))

5. "Ab Initio Simulation on Deposition
Process of Al on Si Surface"

Y. Umeno and T. Kitamura

(Nanotech 2003 (2003.2.23-27, San Francisco, California, USA),
Proceedings Vol.3, pp.215-218)

*＋6. "Study on Strength of Microscopic Material by Simulations with
Atom and Electron Models"

Y. Umeno and T. Kitamura

(IUTAM, Symposium on Mesoscopic Dynamics in Fracture Process and Strength
of Materials (2003.7.6-11, Osaka, Japan), Proceedings: IUTAM Symposium on Mesoscopic Dynamics of Fracture Process and Materials
Strength, Eds: H. Kitagawa and Y. Shibutani, Kluwer Academic Publishers
(2004), pp.391-399)

7. "Mechanical and Electronic Property of Carbon Nanotube in
Tensile Deformation"

A. Kushima, Y. Umeno and T. Kitamura

(Meso-Mechanics 2003: International Conferences on Computational
Mesomechanics Associated with Development and Fabrication of Use-specific
Materials (2003.8.26-28, Tokyo, Japan), Proceedings pp.341-347)

8.
"Atomic Simulation on Delamination Strength of Nanoscale Thin Film from
Interface Edge"

Ryoji FUSHINO, Y. Umeno and T. Kitamura

(Meso-Mechanics 2003: International Conferences on Computational
Mesomechanics Associated with Development and Fabrication of Use-specific
Materials (2003.8.26-28, Tokyo, Japan), Proceedings pp.43-49)

9.
"Strength of Small Components"

T. Kitamura and Y. Umeno

(ISMME2003: The International Symposium on Micro-Mechanical Engineering
(2003.12.1-3, Tsukuba, Japan))

10. "Analyses on Electronic Properties of
Single-Walled Carbon Nanotubes under Elastic Deformation"

Y. Umeno, T. Kitamura and A. Kushima

(ICMAT2003: International Conference on
Materials for Advanced Technologies (ICMAT&IUMRS-ICA2003) (2003.12.7-12,
Singapore))

11. "Ab Initio Simulation on Mechanical and Electronic
Properties of Nanostructures under Deformation"

Y. Umeno and T. Kitamura

(NANOTECH2004 (NSTI: Nano Science and Technology Institute)
(2004.3.7-11, Boston, USA), Proceedings Vol.2, pp.41-44)

＋12. "Criterion
of Mechanical Instability in Inhomogeneous Atomic System"

Y. Umeno and T. Kitamura

(MSMF-4: Materials Structure & Micromechanics of Fracture (2004.6.23-25,
Brno, the Czech Republic), Proceeding: Materials Science Forum, 482 (2005),
pp.127-130)

*13. "Ab Initio Simulation of Ideal Structural Strength"

Y. Umeno, A. Kushima and T. Kitamura

(Nano-Interface
Mechanics Workshop (2004.9.8-9, Tokyo, Japan))

14. "Molecular Dynamics
Study on the Internal Stress of Piezoelectric Thin

Film Deposited by
Magnetron Sputtering"

Fulin SHANG, T. Kitamura and Y. Umeno

(WCCM VI (World Congress on Computational Mechanics) in conjunction

with
APCOM'04 (2004.9.5-10, Beijing, China), Proceedings in CD)

15. "Ab initio
analysis on ideal strength of nanoscale thin films"

Y. Umeno, A. Kushima and T. Kitamura

(ICF11 (2005.3.20-25, Turin, Italy),
Proceedings in CD)

+16. "Mechanical instability in non-uniform atomic structure"

Y. Umeno, Motoki TAGAWA and T. Kitamura

(ISPMA10 (2005.8.30-9.2, Prague, the Czech Republic), Abstract book p.133, Proceedings: Materials Science and Engineering: A, 462/1-2 (2007), pp.450-455)

17. "Atomistic study of ideal tension of nanometer scale
thin films"

Y. Umeno, A. Kushima and T. Kitamura

(EUROMAT2005 (2005.9.5-8, Prague, the Czech Republic),
E51-1969)

＋18. "Mechanical and electronic property of zigzag type
single-walled carbon nanotubes under radial compression"

T. Kitamura, Y. Umeno and A. Kushima

(ICCES'05: International Conference on
Computational & Experimental Engineering and Sciences (2005.12.1-6, Chennai,
India), Proceedings in CD, pp.1452-1457)

＋19. "Ab initio study of surface
stresses of charged Au films"

Y. Umeno, Joerg Weissmüller, F. Evers, M. Nothacker, C. Elsässer, B. Meyer and P. Gumbsch

(2006 MRS spring meeting (2006.4.17-21, San Francisco, USA),
Proceedings online at www.mrs.org as volume 924E: 0924-Z01-09)

*+20. "Atomistic analysis of unstable deformation in amorphous metal"

Y. Umeno, M. Tagawa and T. Kitamura

(THERMEC'2006 (2006.7.4-8, Vancouver, Canada), Proceedings: Materials Science
Forum, Vols. 539-543 (2007), pp. 1994-1999)

21. "Ab initio DFT study
on ferroelectricity on perovskite surfaces and in thin-film capacitors"

Y.
Umeno, C. Elsässer, B. Meyer, P. Gumbsch, T. Shimada and T. Kitamura

(MMM2006
(Multiscale Materials Modeling), 2006.9.18-22, Freiburg, Germany)

*22. "Ab initio DFT study of ideal shear strength of polytypes of
silicon carbide"

Y. Umeno, Y. Kinoshita and T. Kitamura

(MSMF-5 (Materials
Structure & Micromechanics of Fracture), 2007.6.27-29, Brno, the Czech
Republic)

23. "Effect of normal stress on ideal shear strength of
covalent systems"

Y. Umeno

(EUROMAT2007, 2007.9.10-13, Nuernberg,
Germany))

+24. "Ab Initio Study of Ideal Strength of Covalent Crystals: Effect of Multiaxial Stress and Structure"

Y. Umeno

(JSMS 2008 M&M international symposium for young researchers, 2008.3.9-10,
Wakayama, Japan, Proceedings: Journal of Solid Mechanics and Materials
Engineering, Vol. 2, No. 10 (2008), pp.1360-1368)

+25. "Ab initio DFT study of ideal strength of crystal and surfaces
in covalent systems"

Y. Umeno

(MRS 2008
spring meeting (2008.3.24-28, San Francisco, USA), Proceedings will be available
online at www.mrs.org (paper number: 1086-U07-03))

26. "Ab initio DFT
calculations of surface stress and stretch of charged Au films"

Y. Umeno, C. Elsässer, B. Meyer, P. Gumbsch and J. Weissmueller

(8th World Congress on
Computational Mechanics (WCCM8), 2008.06.30-07.04, Venice, Italy)

27. "Ab
initio tensile simulation of silicon nanofilms"

Y. Umeno

(11th
International Symposium on Physics of Materials (ISPMA11), 2008.08.24-08.28,
Prague, the Czech Republic)

28. "Ab initio DFT and classical MD
simulations of fracture of Si thin films"

Y. Umeno

(International
Conference on Fracture (ICF12), 2009.07.12-07.17, Ottawa, Canada, Proceedings in
CD-ROM)

*29. "Atomistic simulations and instability mode analysis of deformation
of thin films during tension"

Y. Umeno

(International
Conference on Processing & Manufacturing of Advanced Materials
(THERMEC2009), 2009.08.25-29, Berlin, Germany)

30. "Analysis of atomistic
instability mode in thin films under tension"

Y. Umeno

(JSME 2010 M&M
International Symposium for Young Researchers, 2010.03.02-03, Caltech, CA, USA,
Proceedings in CD-ROM)

31. "First-Principles study of K-doped Dicobalt
Hexacyanoferrate (II) Co2Fe(CN)6"

J. Wang and Y. Umeno

(The 6th
International Conference on the Physics and Applications of Spin Related
Phenomena in Semiconductors PASPS-VI, 2010.08.01-04, Tokyo, Japan)

32.
"Ab initio DFT study of electrfonic structure of half metallic thiogermanate
[(CH_{3})4_{N}]_{2}FeGe_{4}S_{10} and
its response to strain"

J. Wang and Y. Umeno

(Psi-k 2010 Conference,
2010.09.12-16, Berlin, Germany, Abstract in CD-ROM)

33. "Ab initio DFT
study of ferroelectric instability in PbTiO_{3} capacitors with
symmetric and asymmetric electrodes"

Y. Umeno, J.-M. Albina, B. Meyer, P. Gumbsch and C. Elsässer

(Psi-k 2010 Conference, 2010.09.12-16, Berlin,
Germany, Abstract in CD-ROM)

*34. "Atomistic modeling of mechanical instability: Unstable deformation
mode by inhomogeneous structure"

Y.
Umeno

(UFGNM-2010 [Ultrafine-Grained and Nanostructured Materials],
2010.10.11-14, Ufa, Russia, Abstract book p.93)

34. "Shear deformation
under normal stress in covalent crystals: Ab initio study"

Y. Shiihara, Y.
Umeno and N. Yoshikawa

(UFGNM-2010 [Ultrafine-Grained and Nanostructured
Materials], 2010.10.11-14, Ufa, Russia, Abstract book p.98)

+35. "Tight-binding calculation of deformation and band gap of single-walled
carbon nanotubes under axial tension and radial compression"

Y. Umeno

(EASEC-12
[The Twelfth East Asia-Pacific Conference on Structural Engineering and
Construction] 2011.01.26-28, Hong Kong, Abstract book pp. 665-666, Proceedings:
Procedia Engineering Vol. 14 (2011) pp. 2386-2393)

36. "Analysis of
atomistic scale instability of dislocation nucleation from interfaces and
surface steps"

Y. Umeno

(ISAM4 [International Symposium on Atomistic
Modeling for Mechanics and Multiphysics of Materials], 2011.07.20-22, Tokyo,
Japan, Abstract in CD-ROM)

37. "On accurate approach for molecular
dynamics study of ideal strength at elevated temperature"

A.M. Iskandarov,
S.V. Dmitriev and Y. Umeno

(ISAM4 [International Symposium on Atomistic
Modeling for Mechanics and Multiphysics of Materials], 2011.07.20-22, Tokyo,
Japan, Abstract in CD-ROM)

38. "Atomistic model calculation of
stress-induced domain wall instability in PbTiO_{3} using sell
model"

A. Kubo and Y. Umeno

(ISAM4 [International Symposium on Atomistic
Modeling for Mechanics and Multiphysics of Materials], 2011.07.20-22, Tokyo,
Japan, Abstract in CD-ROM)

39. "Ab initio calculation of magnetic
properties of thiogermanate
[(CH_{3})4_{N}]_{2}FeGe_{4}S_{10}:
Effect of strains and doping"

J. Wang, J.-M. Albina and Y. Umeno

(ISAM4
[International Symposium on Atomistic Modeling for Mechanics and Multiphysics of
Materials], 2011.07.20-22, Tokyo, Japan, Abstract in CD-ROM)

40. "Ab
initio investigation of the surface stress - charge relation of transition and
noble metals"

J.-M. Albina, Y. Umeno, C. Elsässer, P. Gumbsch and J. Weissmueller

(ISAM4 [International Symposium on Atomistic Modeling for
Mechanics and Multiphysics of Materials], 2011.07.20-22, Tokyo, Japan, Abstract
in CD-ROM)

*+41. "Atomistic simulation of stress-induced grain boundary diffusion:
For tin-whisker problem"

Y. Umeno

(THERMEC2011 [International
Conference on Processing & Manufacturing of Advanced Materials]
2011.08.01-05, Quebec City, Canada, Proceedings: Mater. Sci. Forum Vols. 706-709
(2012) pp.1545-1549)

+42. "Ab initio calculation of mechanical properties of stacking fault in 3C-SiC: Effect of stress and doping"

Y. Umeno, Kuniaki Yagi and H. Nagasawa

(ICSCRM2011 [International Conference on Silicon Carbide and Related Materials]
2011.09.11-16, Cleveland, Ohio, USA, Proceedings: Marer. Sci. Forum 717-720
(2012) pp.415-418)

43. "Radial buckling of Pressurized Carbon Nanotubes"

H. Shima, M. Sato and Y. Umeno

(The 6th International Conference on Advanced Computational Engineering
and Experimenting (ACE-X 2012), 2012.07.01-04, Istanbul, Turkey, Proceedings:
submitted)

44. "First-principles calculation of strain effect on magnetic properties
of thiogermanate [(CH_{3})4_{N}]_{2}FeGe_{4}S_{10}" (p)

J. Wang, J.-M. Albina and Y. Umeno

(Junior EUROMAT 2012, 2012.07.23-27, Lausanne, Switzerland)

45. "Calculation of theoretical shear strength of metals and covalent
crystals based on ab initio and empirical atomistic models"

Y. Umeno, Yoshinori Shiihara, Albert M. Iskandarov and Sergey V. Dmitriev

(The 6th European Congress on Computational Methods in Applied Science
and Engineering (ECCOMAS 2012), Technische Universitaet Wien, Vienna, Austria,
2012.09.10-14, Proceedings: *CD-ROM Proceedings of the 6th European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2012)*, September 10-14, 2012, Vienna, Austria, Eds.: Eberhardsteiner, J.; Boehm,
H.J.; Rammerstorfer, F.G., Publisher: Vienna University of Technology,
Austria, ISBN: 978-3-9502481-9-7)

46. "First-principles investigation of the tetragonal to monoclinic
phase transformation in yttria stabilized zirconia" (p)

J.-M. Albina and Y. Umeno

(International Conference on Electronic Materials (IUMRS-IUMRS 2012), Pacifico
Yokohama, Yokohama, Japan, 2012.09-23-28)

47. "Development of polarizable interatomic potential for solid oxides"
(p)

A. Kubo and Y. Umeno

(International Conference on Electronic Materials (IUMRS-IUMRS 2012), Pacifico
Yokohama, Yokohama, Japan, 2012.09-23-28)

48. "Atomic scale analysis of structural instability in nanostructures"
(p)

Wolfram Noehring, Erik Bitzek and Y. Umeno

(International Conference on Electronic Materials (IUMRS-IUMRS 2012), Pacifico Yokohama, Yokohama, Japan, 2012.09-23-28)

*49. "Multiscale modeling for material design of solid oxide fuel
cell electrodes"

Y. Umeno, Tomofumi Tada, Shotaro Hara and Naoki Shikazono

(Engineering Conferences International (ECI): Harnessing the Materials
Genome, Vail, Colorado, USA, 2012.09.30-10.05)

50. "Atomistic simulation of domain wall motion in perovskite PbTiO3
using ab initio based shell-model potential"

Y. Umeno, J.-M. Albina and A. Kubo

(MMM2012, 6th International Conference on Multiscale Materials Modeling,
Biopolis, Singapore, 2012.10.15-19, Proceedings in CD-ROM)

51. "Development of polarizable interatomic potential for yttria-stabilized
zirconia" (p)

A. Kubo, J.-M. Albina and Y. Umeno

(MMM2012, 6th International Conference on Multiscale Materials Modeling,
Biopolis, Singapore, 2012.10.15-19)

52. "Atomic modeling of yttria-stabilized zirconia: Interatomicpotential
developement and ab initio calculation"

Y. Umeno, A.M. Iskandarov, A. Kubo and J.-M. Albina

(ISSM-SOFC2013, The University of Tokyo, Tokyo, 2013.03.11-12))

53. "Many-body potential for molecular dynamics simulation of yttria-stabilized
zirconia" (p)

A.M. Iskandarov, A. Kubo and Y. Umeno

(ISSM-SOFC2013, The University of Tokyo, Tokyo, 2013.03.11-12))

54. "Continuum and atomistic modelling of carbon nanotube corrugation"

M. Sato, Y. Umeno, A. Kusano and H. Shima

(10th HSTAM International Congress on Mechanics, 2013.05.25-27, Chania,
Crete, Greece)

55. "Atomistic model analysis of local and global instabilities in crystals at finite temperature"

Y. Umeno, W. Noehring, A.M. Iskandarov and E. Bitzek

(MSMF-7: Seventh International Conference on Materials Structure &
Micromechanics of Fracture, 2013.07.01-03, Brno University of Technology,
Brno, the Czech Republic)

56. "Atomistic modeling of functional materials: Interatomic potential
development for metals, oxides and magnetic materials"

Y. Umeno, A. Kubo, A. M. Iskandarov

(ISAM4-2013: International Symposium on Atomistic Modeling for Mechanics
and Multiphysics of Materials, 2013.07.22-24, Institute of Industrial Science,
The University of Tokyo, Japan)

57. "Development of interatomic potential for molecular dynamics simulation of Ni/YSZ anode in solid oxide fuel cells"

A. M. Iskandarov, A. Kubo, Y. Umeno

(ISAM4-2013: International Symposium on Atomistic Modeling for Mechanics
and Multiphysics of Materials, 2013.07.22-24, Institute of Industrial Science,
The University of Tokyo, Japan)

58. "Development of interatomic potential for impurity-doped Sn and
diffusion analysis"

A. Kubo, Y. Umeno

(ISAM4-2013: International Symposium on Atomistic Modeling for Mechanics
and Multiphysics of Materials, 2013.07.22-24, Institute of Industrial Science,
The University of Tokyo, Japan)

59. "Analysis of global instabilty mode in atomistic model"

Y. Umeno, W. Noehring, A.M. Iskandarov, A. Kubo and E. Bitzek

(SES (Society of Engineering Science) 50th Annual Technical Meeting and
ASME-AMD Annual Summer Meeting, 2013.07.28-31, Brown Univ., Providence,
RI, USA)

60. "Atomic scale analysis of structural instability in nanostructures"
(p)

W. Nöhring, E. Bitzek and Y. Umeno

(ICMM3-EMMC13: 3rd International Conference on Material Modelling incorporating
the 13th European Mechanics of Materials Conference, 2013.09.08-11, Warsaw,
Poland)

＋61. "Atomistic Modeling and Ab Initio Calculations of Yttria-Stabilized
Zirconia" (p)

Y. Umeno, A.M. Iskandarov, A. Kubo and J.-M. Albina

(SOFC-XIII: 13th International Symposium on Solid Oxide Fuel Cells, 2013.10.07-11, Okinawa Convention Center, Ginowan, Okinawa, Japan. Proceedings: ECS Transactions 57-1 (2013) pp.2799-2809)

＋62. "Develoment of Interatomic Potential for Molecular Dynamics Simulation
of Ni/YSZ Anode in Solid Oxide Fuel Cells" (p)

A.M. Iskandarov, A. Kubo and Y. Umeno

(SOFC-XIII: 13th International Symposium on Solid Oxide Fuel Cells, 2013.10.07-11,
Okinawa Convention Center, Ginowan, Okinawa, Japan. Proceedings: ECS Transactions
57-1 (2013) pp.2811-2819)

63. "Structural Instability in Atomistic Level: Analysis of Ideal
Strength and Global Instability Mode"

Y. Umeno, W. Nöhring, A.M. Iskandarov and E. Bitzek

(ASME 2013 International Mechanical Engineering Congress & Exposition,
2013.11.15-21, San Diego, CA, USA)

64. "Development of interatomic potential for Nd_{2}Fe_{14}B and atomistic model simulation of interface structure"

A. Kubo, J. Wang and Y. Umeno

(Electron Microscopy & Multiscale Modeling 2013, 2013.11.11-13, Kyoto,
Japan)

*65. "Interatomic potential development and atomistic modeling simulation
of yttria-stabilized zirconia"

Y. Umeno, A. Kubo and A.M. Iskandarov

(THERMEC2013: International Conference on Processing & Manufacturing
of Advanced Materials, 2013.12.02-06, Las Vegas, USA)

66. "Atomistic modeling analysis of corrugationg instability and deformation
of multi-walled carbon nanotubes under pressure"

Y. Umeno, A. Kusano, I. Koike, M. Sato and H. Shima

(ACEX2014: 8th International Conference on Advanced Computational Engineering
and Experiment, 2014.06.31-07.03, Paris, France)

67. "Molecular dynamics simulations of hydrostatically pressurized
multi-walled carbon nanotubes"

I. Koike, Y. Umeno, A. Kusano, H. Shima and M. Sato

(ACEM2014: The 2014 World Congress on Advances in Civil, Environment &
Materials Research, 2014.08.24-28, BEXCO, Busan, South Korea)

68. "Molecular dynamics simulation of domain wall switching of PbTiO_{3}: Effect of defect and electric field"

Y. Umeno, X. Li and A. Kubo

(ISPMA13: 13th International Symposium on Physics of Materials, 2014.08.31-09.04,
Prague, Czech Republic)

69. "First-principles and molecular dynamics simulation for diffusion
problem of YSZ and Ni/YSZ in solid oxide fuel cells"

Y. Umeno, A.M. Iskandarov and A. Kubo

(MMM2014: 7th International Conference on Multiscale Materials Modeling,
2014.10.06-10, Double Tree Berkeley Marina, CA, USA)

70. "Multiscale simulation of stress corrosion effects and surface
response to charging"

J.-M.Albina, Y. Umeno, G. Moras, C. Elsässer and P. Gumbsch

(MMM2014: 7th International Conference on Multiscale Materials Modeling,
2014.10.06-10, Double Tree Berkeley Marina, CA, USA)

71. "Ab initio-based atomistic model simulation of deformation and fracture in SiC power device"

Y. Umeno, A. Kubo and S. Nagao

(ICM12: International Conference on Mechanical Behavior of Materials, 2015.05.10-14,
Karlsruhe Convention Center, Germany)

72. "Atomistic modeling of mechanical reliability of device materials"

Y. Umeno and A. Kubo

(PACAM15: Fifteenth Pan-American Congress of Applied Mechanics, 2015.05.18-21,
I Hotel and Conference Center, Champaign, IL, USA)

73. "Effect of defect and electric field on stress-induced domain
switching in PbTiO3: A molecular dynamics study"

Y. Umeno and A. Kubo

(ACE-X 2015: The 9th International Conference on Advanced Computational
Engineering and Experimenting, 2015.06.29-07.02, NH Muenchen Messe, Munich,
Germany)

74. "Molecular dynamics study of Ni/YSZ systems based on improved
interatomic model"

A.M. Iskandarov and Y. Umeno

(The ECS Conference on Electrochemical Energy Conversion & Storage
with SOFC-XIV, 2015.07.26-31, Glasgow, Scotland, UK, proceedings to be
published)

75. "Reactive force-field develpment for metal/ceramic SOFC anode
modeling"

L.C. Saha, A. Iskandarov, K. Nakao, T. Ishimoto, Y. Umeno and M. Koyama

(The ECS Conference on Electrochemical Energy Conversion & Storage
with SOFC-XIV, 2015.07.26-31, Glasgow, Scotland, UK, proceedings to be
published)

76. "Ab initio calculation and molecular dynamics simulation of mechanical
reliability of SiC power device"

Y. Umeno and A. Kubo

(ICSMA17: 17th International Conference on the Strength of Materials, 2015.08.09-14,
Brno, Czech Republic)

77. "Estimation of Peierls stress by the Peierls-Nabarro model using
the G-surface determined by ab-initio calculation, and the comparison with
experiments"

Y. Kamimura, K. Edagawa, A. Iskandarov, M. Osawa, Y. Umeno and S. Takeuchi

(ICSMA17: 17th International Conference on the Strength of Materials, 2015.08.09-14,
Brno, Czech Republic)

*78. "Computational approach at different scales to fracture problems
in polymers"

Y. Umeno, A. Kubo and N. Yoshikawa

(IWACOM-III: The 3rd International Workshops on Advances in Computational
Mechanics, 2015.10.12-14, Tokyo, Japan)

*79. "Bottom-up multiscale modeling for fracture problems"

A. Kubo and Y. Umeno

(IWACOM-III: The 3rd International Workshops on Advances in Computational
Mechanics, 2015.10.12-14, Tokyo, Japan)

80. "Verification of the accuracy of analytical models of hydrostatically pressurized buckling of single and multi-walled carbon nanotubes"

I. Koike, Y. Yachi, Y. Umeno, H. Shima and M. Sato

(ICCAE: The 11th International Conference on Civil and Architectural Engineering,
2016.01.22, Singapore)

*81. "Atomistic modeling of buckling behavior of pressurized carbon
nanotubes"

Yoshitaka Umeno, Masanobu Sato, Hiroyuki Shima and Motohiro Sato

(EMN (Energy Materials Nanotechnology) Meeting on Carbon Nanostructures,
2016.03.27-31, Double Tree by Hilton Alana-Waikiki Beach, Hawaii, USA.
Abstract book p. 9-10.)

*82. "Multiscale modeling of deformation and fracture in polymers"

Y. Umeno, A. Kubo and N. Yoshikawa

(THERMEC 2016: International Conference on Processing & Manufacturing
of Advanced Materials, 2016.05.29-06.03, Graz, Austria. Abstract book p.
569.)

83. "Atomistic modeling analysis of buckling of pressurized nanotubes"

Yoshitaka Umeno, Masanobu Sato, Hiroyuki Shima and Motohiro Sato

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic)

84. "Coarse-grained molecular dynamics simulation of fracture problems
in polycarbonate"

A. Kubo and Y. Umeno

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic)

85. "Molecular dynamics simulation of anode in solid oxide fuel cells"

A. Iskandarov, T. Tada and Y. Umeno

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic: Proceedings to be published
in Key Engineering Materials)

86. "Cross-sectional deformation in multi-walled carbon nanotubes
under hydrostatic pressure"

Motohiro Sato, Yu Yachi, Ikuyo Koike, Hiroyuki Shima and Yoshitaka Umeno

(MSMF8-ISAM4, 2016.06.27-29, Brno, Czech Republic)

87. "Cross-sectional buckling analysis of hydrostatically pressurized
multi-walled carbon nanotubes by molecular dynamics simulations"

Y. Yachi, I. Koike, N. Ikeoka, Y. Umeno, H. Shima and M. Sato

(ACEM16 (Advances in Civil, Environmental, and Materials Research), 2016.08.28-09.01,
ICC JEJU, Jeju Island, Korea)

88. "Reduction of NiO in a H2 environment: A ReaxFF molecular dynamics
study"(p)

S. Oberhoffer, A. Iskandarov and Y. Umeno

(2016 Asian SOFC Symposium, 2016.09.04-07, The University of Tokyo, Japan)

89. "Coarse-grained molecular dynamics simulation of amorphous polymers
under multiaxial loading"

Y. Umeno and A. Kubo

(MMM2016: 8th International Conference on Multiscale Materials Modeling,
2016.10.09-14, Dijon, France)

90. "Building highly transferable interatomic models for atomistic
simulation of device reliability"

Y. Umeno and A. Kubo

(SGEM Vienna GREEN 2016, International Scientific Conference on Earth and
Geo Sciences, 2016.11.02-05, Hofburg, Vienna, Austria)

91. "Atomistic-level simulation of deformation in polycarbonate"

A. Kubo and Y. Umeno

(AEPA2016: 13th Asia-Pacific Symposium on Engineering Plasticity and Its
Applications, 2016.12.04-08, Hiroshima, Japan)

92. "Atomistic model analysis of deformation of carbon nanotubes under
axial compression"

M. Sato and Y. Umeno

(AEPA2016: 13th Asia-Pacific Symposium on Engineering Plasticity and Its
Applications, 2016.12.04-08, Hiroshima, Japan)

*93. "Computational analysis of buckling mechanism and multiphysics
of CNTs under axial compression"

Yoshitaka Umeno, Masanobu Sato, Hiroyuki Shima and Motohiro Sato

(EMN (Energy Materials and Nanotechnology) Meeting on Carbon Nanostructures,
2017.02.19-23, Radisson Resort Celebration, Orland, FL, USA)

*94. "Finite-element analysis of velocity mode transition of crack
propagation in rubber materials"

Atsushi Kubo and Yoshitaka Umeno

(9th World Congress on Materials Science and Engineering, 2017.06.12-14,
Rome, Italy)

*95. "Numerical simulation for designing mechanically reliable structure
of environment barrier coatings in ceramics"

Yoshitaka Umeno and Emi Kawai

(Frontiers in Materials Processing Applications, Research and Technology
(FiMPART2017), 2017.07.09-12, Bordeaux, France)

*96. "Atomistic-level interaction between lubricant and SPD-processed
metallic surface:

first principles, molecular dynamics, and coarse-grained molecular dynamics
approaches

Yoshinori Shiihara, Yoshitaka Umeno, Masatoshi Mitsuhara, Minoru Nishida
and Yoshikazu Todaka

(Frontiers in Materials Processing Applications, Research and Technology
(FiMPART2017), 2017.07.09-12, Bordeaux, France)

97. "A reactive force field (ReaxFF) for molecular dynamics simulations
of NiO reduction in H_{2} environments" (p)

S. Oberhoffer, A.M. Iskandarov and Y. Umeno

(15th Internationa Symposium on Solid Oxide Fuel Cells (SOFC-XV), 2017.07.23-28,
Hollywood, FL, USA)

98. "Multi-scale, multi-physics approach for solid oxide fuel cell
anode reaction"

S. Liu, S. Liu, L.C. Saha, A.M. Iskandarov, Z. Jiao, S. Hara, T. Ishimoto,
T. Tada, Y. Umeno, N. Shikazono, S. Matsumura and M. Koyama

(15th Internationa Symposium on Solid Oxide Fuel Cells (SOFC-XV), 2017.07.23-28,
Hollywood, FL, USA)

99. "Theoretical prediction of energy release rate for interface crack
initiation by thermal stress in environmental barrier coatings for ceramics"

Emi Kawai and Yoshitaka Umeno

(International Conference on Fracture Fatigue and Wear (FFW2017), 2017.07.26-27,
Porto, Portugal)

*100. "Atomistic modeling analysis of structural instability of carbon
nanotubes under pressure"

Yoshitaka Umeno, Masanobu Sato, Hiroyuki Shima and Motohiro Sato

(SES 2017 Boston: 54th Annual Technical Meeting of Society of Engineering
Science, ASME-AMD Joint Conference, 2017.07.25-28, Northeastern University,
Boston, MA, USA))

101. "Finite element analysis of crack propagation in rubber sheet: The mechanism of velocity mode transition" (p)

A. Kubo, Y. Umeno and N. Yoshikawa

(International Symposium on Advanced Soft Matter: From Single Molecule
to Tough Polymers (Hokkaido University-ImPACT Joint Symposium), 2017.08.07-08,
Sapporo, Hokkaido, Japan)

102. "Finite-element analysis of velocity mode transition in dynamic
crack propagation in rubber sheets"

A. Kubo and Y. Umeno

(10th European Conference on Constitutive Models for Rubbers (ECCMR2017),
2017.08.28-31, Munich, Germany)

103. "Numerical simulation of energy release rate for interface crack
initiation due to thermal stress in environmental barrier coatings for
Silicon carbide (SiC) fiber reinforced SiC matrix composite" (p)

E. Kawai and Y. Umeno

(Engineering Conferences International (ECI): Advanced Ceramic Matrix Composites,
2017.11.5-9, Santa Fe, New Mexico, USA)

104. "Finite element analysis of dynamic crack propagation in polymers"

A. Kubo and Y. Umeno

(2017 Japan-Tiwan Bilateral Symposium on Physical Chemistry of Tough Polymers
for Future Vehicles, 2017.11.20-21, Tainan, Taiwan)

105. "Emergent frontiers of the fixed-grip constant crack propagation
in polymer sheets: experimental, numerical, and theoretical studies

Y. Morishita, K. Tsunoda, K. Urayama, A. Kubo, Y. Umeno, N. Sakumichi,
Y. Aoyanagi and K. Okumura*

(17th International Conference on Deformation, Yield and Fracture of Polymers
(DYFP2018), 2018.03.25-29, Kerkrade, Netherlands)

*106. "Atomistic modeling of multiphysics in nanostructures"

Y. Umeno, M. Sato and A. Kubo

(ACE-X2018: The 12th International Conference on Advanced Computational
Engineering and Experimenting, 2018.7.1-5, Amsterdam, The Netherlands)

*107. "Computational modeling for fracture criteria of environmental
barrier coating structure for SiC/SiC composite"

Y. Umeno and E. Kawai

(THERMEC2018: International Conference on Processing & Manufacturing
of Advanced Materials, 2018.7.8-13, Paris, France)

108. "Continuum model of slow-fast mode transition of crack propagation
in viscoelastic materials"

Y. Umeno and A. Kubo

(WCCM2018: 13th World Congress on Computational Mechanics, 2018.7.22-27,
New York, USA)

109. "Finite element method model of damage initiation due to thermal
stress in environmental barrier coatings with columnar layer for ceramics"

E. Kawai and Y. Umeno

(APCFS2018: Asia-Pacific Conference on Fracture and Strength 2018, 2018.10.21-25,
Xi'an, China)

110. "Friction mechanism of nanostructured steel in lubricant: A coarse-grained
molecular dynamics study"

Y. Umeno, A. Kubo and Y. Sudo

(MMM2018: The 9th International Conference on Multiscale Materials Modeling,
2018.10.28-11.2, Osaka, Japan)

111. "Development of artificial neural network model for prediction
of electronic density of states in atomistic systems" (p)

A. Kubo and Y. Umeno

(MMM2018: The 9th International Conference on Multiscale Materials Modeling,
2018.10.28-11.2, Osaka, Japan)

112. "Numerical analysis of crack propagation velocity transition
in elastomers" (p)

A. Kubo and Y. Umeno

(28th Annual Meeting of MRS-J, International Symposium F-9: Design and
Characterization of Tough Polymers, 2018.12.19-20, Kitakyushu International
Conference Center, Fukuoka, Japan))

*113. "Atomistic model simulation of buckling behavior and band gap
energy in compressed carbon nanotubes"

Y. Umeno, Ma. Sato, Mo. Sato and H. Shima

(EMN meeting on carbon nanostructures 2019, 2019.05.13-17, Cardinal Hotel
St. Peter Rome, Italy)

114. "First-principles analysis of deformation and fracture properties
of semiconductors"

A. Kubo and Y. Umeno

(MSMF9: 9th International Conference on Materials Structure & Micromechanics
of Fracture, 2019.6.26-28, Brno, Czech Republic)

115. "Coarse-grained molecular dynamics simulation of deformation
and fracture in polycarbonate: Effect of loading mode, strain rate, temperature
and molar mass"

Y. Umeno, A. Kubo and J.-M. Albina

(MSMF9: 9th International Conference on Materials Structure & Micromechanics
of Fracture, 2019.6.26-28, Brno, Czech Republic)

116. "Prediction of electronic density of states in atomistic structure
using artificial neural network model"

A. Kubo and Y. Umeno

(ISAM4-2019: The fourth International Symposium on Atomistic and Multiscale
Modeling of Mechanics and Multiphysics, 2019.8.5-8, Friedrich-Alexander
Universität Erlangen-Nürnberg, Germany)

117. "Effect of nanostructure in metal surfaces on boundary lubrication:
A coarse-grained molecular dynamics study"

Y. Umeno, A. Kubo and J.-M. Albina

(ISAM4-2019: The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics, 2019.8.5-8, Friedrich-Alexander Universität Erlangen-Nürnberg, Germany)

118. "Criteria of interface crack initiation and propagation in environmental
barrier coating with columnar layer under thermal stress"

E. Kawai, H. Kakisawa, N. Yamaguchi, T. Yokoi, A. Kubo, S. Kitaoka and
Y. Umeno

(Materials Research Meeting 2019, 2019.12.10-14, Yokohama, Japan)

(2019)

Emi Kawai，Engineering Conferences International (ECI): Advanced Ceramic Matrix Composites (2017.11.5-9, Santa Fe, New Mexico, USA) Best Poster Award (2nd place) "Numerical simulation of energy release rate for interface crack initiation due to thermal stress in environmental barrier coatings for Silicon carbide (SiC) fiber reinforced SiC matrix composite"

Y. Umeno, Outstanding paper award of JSME (Transaction of JSME (A)，75-757(2009-9), pp. 1247-1254)

2012

Yu Harubeppu, best presentation award, the 14th MD symposium (JSMS)

(2009)

Y. Umeno，Modelling and Simulation in Materials Science and Engineering
2007 Highlights paper

"Ab initio DFT simulation of ideal shear deformation of SiC polytypes"

Y. Umeno, Y. Kinoshita and T. Kitamura

(Modelling and Simulation in Materials Science and Engineering, 15 (2007),
pp.27-37)

*[Selected to MSMSE 2007 Highlights]*

Y. Umeno，Modelling and Simulation in Materials Science and Engineering
2009 Highlights paper

"First-principles approaches to intrinsic strength and deformation
of materials: perfect crystals, nano-structures, surfaces and interfaces"

Shigenobu Ogata, Y. Umeno and Masanori Kohyama

(Modelling and Simulation in Materials Science and Engineering, Vol. 17
(2009), 013001 (33 pp))

Y. Umeno, 2008 JSMS Molecular Dynamics Division, Best presentation award (13th MD symposium)

Y. Umeno, 2005 JSMS Award for Promising Researchers

Y. Umeno, 2004 JSME Young Engineers Award