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                             47 results found
no title author magazine year volume issue page(s) type
1 Ab initio dynamical stability of tungsten at high pressures and high temperatures Zhang, Huai-Yong
 2018
 144 C p. 32-35
 article
2 A scalable parallel framework for microstructure analysis of large-scale molecular dynamics simulations data Wu, Guoqing
 2018
 144 C p. 322-330
 article
3 A spatial decomposition parallel algorithm for a concurrent atomistic-continuum simulator and its preliminary applications Chen, Hao
 2018
 144 C p. 1-10
 article
4 A theoretical study of thermal vacancy formation enthalpy of disordered FePt doped by Cu, Zn and Ag Luo, H.B.
 2018
 144 C p. 120-125
 article
5 Brittle-to-ductile transition in fracture of few-layered black phosphorus ribbons under uniaxial stretching Wang, Lei
 2018
 144 C p. 210-215
 article
6 Characterization of melting properties of several Fe-C model potentials Melnykov, Mykhailo
 2018
 144 C p. 273-279
 article
7 Classical and quantum calculations of the temperature dependence of the free energy of argon Xu, Wenwu
 2018
 144 C p. 36-41
 article
8 Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective Petretto, Guido
 2018
 144 C p. 331-337
 article
9 Density-functional theory based molecular dynamics simulation of tetrahedrite thermoelectrics: Effect of cell size and basis sets Li, Junchao
 2018
 144 C p. 315-321
 article
10 DFT calculation for stability and strength of iron borides Huang, H.H.
 2018
 144 C p. 147-153
 article
11 DFT-NEGF simulation of graphene-graphdiyne-graphene resonant tunneling transistor Shohany, Boshra Ghanbari
 2018
 144 C p. 280-284
 article
12 Editorial Board 2018
 144 C p. ii
 article
13 Effect of strain on thermal conductivity of amorphous silicon dioxide thin films: A molecular dynamics study Gu, Hanqing
 2018
 144 C p. 133-138
 article
14 Electronic and optical properties of monolayer black phosphorus induced by bi-axial strain Xie, Zhongjing
 2018
 144 C p. 304-314
 article
15 Enhancement of ion conductivity for doped electrolytes in SOFC by MD modeling Lai, Hsin-Yi
 2018
 144 C p. 265-272
 article
16 Faceted and dendritic morphology change in alloy solidification Bollada, P.C.
 2018
 144 C p. 76-84
 article
17 First-principles study for strain effects on oxygen migration in zirconium Liu, Liucheng
 2018
 144 C p. 345-354
 article
18 Formation of ferromagnetic/ferrimagnetic epitaxial interfaces: Stability and magnetic properties Guerrero-Sánchez, J.
 2018
 144 C p. 294-303
 article
19 Generalization of the Fourier-spectral Eyre scheme for the phase-field equations: Application to self-assembly dynamics in materials Demange, G.
 2018
 144 C p. 11-22
 article
20 Grain size effects on indentation-induced plastic deformation and amorphization process of polycrystalline silicon Fan, Jinjun
 2018
 144 C p. 113-119
 article
21 Kapitza conductance of symmetric tilt grain boundaries of monolayer boron nitride Elapolu, Mohan S.R.
 2018
 144 C p. 161-169
 article
22 Kinetic Monte Carlo model for 1-D migration in a field of strong traps: Application to self-interstitial clusters in W-Re alloys Bonny, G.
 2018
 144 C p. 355-362
 article
23 Mechanical behavior of a novel carbon-based nanostructured aluminum material Erturk, Ahmet Semih
 2018
 144 C p. 193-209
 article
24 Mechanics of point defect diffusion near dislocations and grain boundaries: A chemomechanical framework Zarnas, Patrick D.
 2018
 144 C p. 99-112
 article
25 Mechanism of intrinsic diffusion in the core of screw dislocations in FCC metals – A molecular dynamics study Soltani, Siavash
 2018
 144 C p. 50-55
 article
26 Modelling of nucleation in Impulse atomized undercooled droplets Valloton, J.
 2018
 144 C p. 176-180
 article
27 Molecular dynamics analysis of plastic deformation and mechanics of imprinted metallic glass films Wu, Cheng-Da
 2018
 144 C p. 248-255
 article
28 New predicted ground state and high pressure phases of TcB3 and TcB4: First-principles Ying, Chun
 2018
 144 C p. 154-160
 article
29 Oxygen adsorption and diffusion on γ-U(0 0 1) surface: Effect of titanium Liu, Guangdong
 2018
 144 C p. 85-91
 article
30 Oxygen diffusion and migration in clean and defective uranium nitride UN (0 0 1) surfaces Zergoug, T.
 2018
 144 C p. 56-63
 article
31 Phase-field analysis of volume-diffusion controlled shape-instabilities in metallic systems-I: 2-Dimensional plate-like structures Kubendran Amos, P.G.
 2018
 144 C p. 363-373
 article
32 Phase-field analysis of volume-diffusion controlled shape-instabilities in metallic systems-II: Finite 3-dimensional rods Kubendran Amos, P.G.
 2018
 144 C p. 374-385
 article
33 Phase-field simulation and analytical modelling of CaSiO3 growth in CaO-Al2O3-SiO2 melts Liu, Jingjing
 2018
 144 C p. 126-132
 article
34 Predicting two-dimensional carbon phosphide compouds: C2P4 by the global optimization method Fu, Xi
 2018
 144 C p. 70-75
 article
35 Prediction of interstitial diffusion activation energies of nitrogen, oxygen, boron and carbon in bcc, fcc, and hcp metals using machine learning Zeng, Yingzhi
 2018
 144 C p. 232-247
 article
36 Reconstruction of three-dimensional heterogeneous media from a single two-dimensional section via co-occurrence correlation function Feng, Junxi
 2018
 144 C p. 181-192
 article
37 Screening polyethylene oxide-based composite polymer electrolytes via combining effective medium theory and Halpin-Tsai model Li, Yuanji
 2018
 144 C p. 338-344
 article
38 Simulation and analysis of γ -Ni cellular growth during laser powder deposition of Ni-based superalloys Ghosh, Supriyo
 2018
 144 C p. 256-264
 article
39 Strengthening effects of alloying elements W and Re on Ni3Al: A first-principles study Gong, Wei
 2018
 144 C p. 23-31
 article
40 Strengthening mechanisms of graphene coated copper under nanoindentation Zhao, Yinbo
 2018
 144 C p. 42-49
 article
41 Structural, mechanical and electronic properties of two-dimensional structure of III-arsenide (111) binary compounds: An ab-initio study González-García, Alvaro
 2018
 144 C p. 285-293
 article
42 Temperature-based plastic deformation mechanism of Cu/Ag nanocomposites: A molecular dynamics study Kardani, A.
 2018
 144 C p. 223-231
 article
43 Tetragon-based carbon allotropes T-C8 and its derivatives: A theoretical investigation Lv, Yanan
 2018
 144 C p. 170-175
 article
44 The effect of alkali metal over Mn/TiO2 for low-temperature SCR of NO with NH3 through DRIFT and DFT Wei, Lu
 2018
 144 C p. 216-222
 article
45 The effects of strain and vacancy defects on the electronic structure of Cr2O3 Mi, Zhishan
 2018
 144 C p. 64-69
 article
46 Transparency enhancement for SrVO3 by SrTiO3 mixing: A first-principles study Liu, Z.T.Y.
 2018
 144 C p. 139-146
 article
47 Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties Mobaraki, Arash
 2018
 144 C p. 92-98
 article
                             47 results found
 
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