no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
1 |
A blended NPT/NVT scheme for simulating metallic glasses
|
Hamilton, Nicholas E. |
|
2017 |
130 |
C |
p. 130-137 8 p. |
article |
2 |
A computational framework for automation of point defect calculations
|
Goyal, Anuj |
|
2017 |
130 |
C |
p. 1-9 9 p. |
article |
3 |
Adhesion and diffusion at TiN/TiO2 interfaces: A first principles study
|
Martinez, Jackelyn |
|
2017 |
130 |
C |
p. 249-256 8 p. |
article |
4 |
A molecular dynamics simulation of the graphene growth on Cu(111) surface
|
Zhang, Lan |
|
2017 |
130 |
C |
p. 10-15 6 p. |
article |
5 |
A morphological investigation of conductive networks in polymers loaded with carbon nanotubes
|
Lubineau, G. |
|
2017 |
130 |
C |
p. 21-38 18 p. |
article |
6 |
An atomistic insight into the fracture behavior of bicrystal aluminum containing twist grain boundaries
|
Chandra, S. |
|
2017 |
130 |
C |
p. 268-281 14 p. |
article |
7 |
An improved sampling strategy for global energy minimization of multi-component systems
|
Otis, Richard |
|
2017 |
130 |
C |
p. 282-291 10 p. |
article |
8 |
A novel PCA-based microstructure descriptor for heterogeneous material design
|
Xu, Chao |
|
2017 |
130 |
C |
p. 39-49 11 p. |
article |
9 |
A simulation study of the distribution of β′ precipitates in a crept Mg-Gd-Zr alloy
|
Liu, H. |
|
2017 |
130 |
C |
p. 152-164 13 p. |
article |
10 |
Atomic and electronic structures of thermochromic VO2 with Sb-doping
|
Cui, Yuanyuan |
|
2017 |
130 |
C |
p. 103-108 6 p. |
article |
11 |
Atomistic description of coupled thermal-mechanical stresses on a gold/HOPG nanocontact
|
Brunetto, Gustavo |
|
2017 |
130 |
C |
p. 165-171 7 p. |
article |
12 |
Atomistic modeling for mechanism of crack cleavage extension on nano-scale
|
Gao, Ying-jun |
|
2017 |
130 |
C |
p. 64-75 12 p. |
article |
13 |
Atomistic simulation of the tension/compression response of textured nanocrystalline HCP Zr
|
Bertolino, G. |
|
2017 |
130 |
C |
p. 172-182 11 p. |
article |
14 |
Atomistic simulation on nanomechanical response of indented graphene/nickel system
|
Yan, Yuping |
|
2017 |
130 |
C |
p. 16-20 5 p. |
article |
15 |
Control of surface induced phase separation in immiscible semiconductor alloy core-shell nanowires
|
Arjmand, M. |
|
2017 |
130 |
C |
p. 50-55 6 p. |
article |
16 |
Electronic and thermoelectric properties of the group-III nitrides (BN, AlN and GaN) atomic sheets under biaxial strains
|
Huang, Zheng |
|
2017 |
130 |
C |
p. 232-241 10 p. |
article |
17 |
Electronic structure, optical properties and band edges of layered MoO3: A first-principles investigation
|
Qu, Qian |
|
2017 |
130 |
C |
p. 242-248 7 p. |
article |
18 |
Establishment of half-metallicity, ferrimagnetic ordering and double exchange interactions in Ni-doped BiFeO3 – A first-principles study
|
Iyyappa Rajan, P. |
|
2017 |
130 |
C |
p. 84-90 7 p. |
article |
19 |
Eutectic colony formation in systems with interfacial energy anisotropy: A phase field study
|
Lahiri, Arka |
|
2017 |
130 |
C |
p. 109-120 12 p. |
article |
20 |
Finite size effects on a core-shell model of barium titanate
|
Gonçalves, Luis G.V. |
|
2017 |
130 |
C |
p. 98-102 5 p. |
article |
21 |
First-principles exploration of sp-electron digital magnetic heterostructures: The case for CaO δ-doped with 2p-block elements boron, carbon, and nitrogen
|
Du, Jiangtao |
|
2017 |
130 |
C |
p. 91-97 7 p. |
article |
22 |
Fundamental characteristics of solids from low-temperature heat capacity
|
Naumov, Victor N. |
|
2017 |
130 |
C |
p. 257-267 11 p. |
article |
23 |
IFC
|
|
|
2017 |
130 |
C |
p. IFC- 1 p. |
article |
24 |
Inverse Ripening and Rearrangement of Precipitates under Chemomechanical Coupling
|
Darvishi Kamachali, Reza |
|
2017 |
130 |
C |
p. 292-296 5 p. |
article |
25 |
Modeling material interfaces with hybrid adhesion method
|
Brown, Nicholas T. |
|
2017 |
130 |
C |
p. 204-213 10 p. |
article |
26 |
Modified embedded-atom method interatomic potentials for the Co-Cr, Co-Fe, Co-Mn, Cr-Mn and Mn-Ni binary systems
|
Choi, Won-Mi |
|
2017 |
130 |
C |
p. 121-129 9 p. |
article |
27 |
On the evolution and electronic properties of self-assembled gold nanowires
|
Tyagi, Neha |
|
2017 |
130 |
C |
p. 222-231 10 p. |
article |
28 |
Phase transformations, detwinning and superelasticity of shape-memory NiTi from MEAM with practical capability
|
Muralles, Mario |
|
2017 |
130 |
C |
p. 138-143 6 p. |
article |
29 |
Phonon dispersion anomalies and superconductivity in metal substituted MgB2
|
Mackinnon, Ian D.R. |
|
2017 |
130 |
C |
p. 191-203 13 p. |
article |
30 |
Phosphorus quantum dots as visible-light photocatalyst for water splitting
|
Zhou, Si |
|
2017 |
130 |
C |
p. 56-63 8 p. |
article |
31 |
Relationship between local buckling and atomic elastic stiffness in multi-walled carbon nanotubes under compression and bending deformations
|
Nishimura, Masaomi |
|
2017 |
130 |
C |
p. 214-221 8 p. |
article |
32 |
Stress wave propagation in Boron-Nitride nanotubes
|
Patra, Puneet Kumar |
|
2017 |
130 |
C |
p. 144-151 8 p. |
article |
33 |
The effects of metalloid elements (P, C, B) on the properties of Co-based amorphous alloys studied by ab initio molecular dynamics simulations
|
Jiang, Jiawei |
|
2017 |
130 |
C |
p. 76-83 8 p. |
article |
34 |
The migration behavior of the fourth period transition metals in liquid Al: An ab initio molecular dynamics study
|
Yang, Jian |
|
2017 |
130 |
C |
p. 183-190 8 p. |
article |