| no |
title |
author |
magazine |
year |
volume |
issue |
page(s) |
type |
| 1 |
A combined nonequilibrium Green’s function/density-functional theory study of electrical conducting properties of artificial DNA duplexes
|
Okamoto, Akisumi
|
|
2012
|
53 |
1 |
p. 416-424
9 p.
|
article
|
| 2 |
A comparative study of the performance of metallic and FGM tibia tray components in total knee replacement joints
|
Enab, Tawakol A.
|
|
2012
|
53 |
1 |
p. 94-100
7 p.
|
article
|
| 3 |
Alloying element additions to Ni3Al: Site preferences and effects on elastic properties from first-principles calculations
|
Wu, Qiong
|
|
2012
|
53 |
1 |
p. 436-443
8 p.
|
article
|
| 4 |
An improved molecular dynamics potential for the Al–O system
|
Lazić, Ivan
|
|
2012
|
53 |
1 |
p. 483-492
10 p.
|
article
|
| 5 |
A phase-field approach to athermal β→ω transformation
|
Tang, Bin
|
|
2012
|
53 |
1 |
p. 187-193
7 p.
|
article
|
| 6 |
Application of response surface methodology to drive GTN model parameters and determine the FLD of tailor welded blank
|
Abbasi, M.
|
|
2012
|
53 |
1 |
p. 368-376
9 p.
|
article
|
| 7 |
A strain energy model for the prediction of the effective coefficient of thermal expansion of composite materials
|
Xu, Yingjie
|
|
2012
|
53 |
1 |
p. 241-250
10 p.
|
article
|
| 8 |
A theoretical investigation of thermal effects on vibrational behaviors of single-walled carbon nanotubes
|
Chen, Wen-Hwa
|
|
2012
|
53 |
1 |
p. 226-233
8 p.
|
article
|
| 9 |
A thermal analysis on self-propagating high temperature synthesis in joining technology
|
Fiedler, T.
|
|
2012
|
53 |
1 |
p. 251-257
7 p.
|
article
|
| 10 |
Can barrier to relative sliding of carbon nanotube walls be measured?
|
Popov, A.M.
|
|
2012
|
53 |
1 |
p. 67-74
8 p.
|
article
|
| 11 |
Characterization of Pt n (n =2–12) clusters through global reactivity descriptors and vibrational spectroscopy, a theoretical study
|
Heredia, C.L.
|
|
2012
|
53 |
1 |
p. 18-24
7 p.
|
article
|
| 12 |
Comparison of computational water models for simulation of calcium–silicate–hydrate
|
Ji, Qing
|
|
2012
|
53 |
1 |
p. 234-240
7 p.
|
article
|
| 13 |
Compton profiles of MoP and WP: Validation of second order generalized gradient approximation
|
Joshi, Ritu
|
|
2012
|
53 |
1 |
p. 89-93
5 p.
|
article
|
| 14 |
Constitutive modeling for hot deformation behavior of T24 ferritic steel
|
Li, Hong-Ying
|
|
2012
|
53 |
1 |
p. 425-430
6 p.
|
article
|
| 15 |
Continuum-molecular modelling of graphene
|
Samadikhah, Kaveh
|
|
2012
|
53 |
1 |
p. 37-43
7 p.
|
article
|
| 16 |
Corrigendum to “High speed algorithm for the calculation of magnetic and orbital excitations in rare earth based systems” [Comput. Mater. Sci. 38 (2006) 400–404]
|
Rotter, M.
|
|
2012
|
53 |
1 |
p. 493-
1 p.
|
article
|
| 17 |
Critical size, recovery, and mechanical property of nanoimprinted Ni–Al alloys investigation using molecular dynamics simulation
|
Wu, Cheng-Da
|
|
2012
|
53 |
1 |
p. 321-328
8 p.
|
article
|
| 18 |
Cyclic viscoelastoplasticity of polypropylene/nanoclay hybrids
|
Drozdov, A.D.
|
|
2012
|
53 |
1 |
p. 396-408
13 p.
|
article
|
| 19 |
Density functional theory investigation of the mechanical properties of single-walled carbon nanotubes
|
Fereidoon, A.
|
|
2012
|
53 |
1 |
p. 377-381
5 p.
|
article
|
| 20 |
3D-FE modeling for power spinning of large ellipsoidal heads with variable thicknesses
|
Zhang, Jinhui
|
|
2012
|
53 |
1 |
p. 303-313
11 p.
|
article
|
| 21 |
DFT study of the coverage effects for Al adsorption on Si(111) surfaces
|
Ying, Min Ju
|
|
2012
|
53 |
1 |
p. 382-387
6 p.
|
article
|
| 22 |
Dislocation density-based modeling of subsurface grain refinement with laser-induced shock compression
|
Ding, Hongtao
|
|
2012
|
53 |
1 |
p. 79-88
10 p.
|
article
|
| 23 |
Effect of hydration on electrical conductivity of DNA duplex: Green’s function study combined with DFT
|
Maeda, Yaku
|
|
2012
|
53 |
1 |
p. 314-320
7 p.
|
article
|
| 24 |
Effect of metal catalyst thermal expansion on thermal stability of synthetic diamonds
|
Novikov, Mykola V.
|
|
2012
|
53 |
1 |
p. 409-415
7 p.
|
article
|
| 25 |
Effect of substituting sp-element on half metallic ferromagnetism in NiCrSi Heusler alloy
|
Singh, Mukhtiyar
|
|
2012
|
53 |
1 |
p. 431-435
5 p.
|
article
|
| 26 |
Effect of transition-metal substitution on electronic and mechanical properties of Fe3Al: First-principles calculations
|
Niu, Xue-lian
|
|
2012
|
53 |
1 |
p. 128-132
5 p.
|
article
|
| 27 |
Effects of temperature, size of water droplets, and surface roughness on nanowetting properties investigated using molecular dynamics simulation
|
Wu, Cheng-Da
|
|
2012
|
53 |
1 |
p. 25-30
6 p.
|
article
|
| 28 |
Elastic buckling and flexural rigidity of graphene nanoribbons by using a unique translational spring element per interatomic interaction
|
Giannopoulos, Georgios I.
|
|
2012
|
53 |
1 |
p. 388-395
8 p.
|
article
|
| 29 |
FEM modelling of the combined effect of grain boundaries and second phase particles on the flow stress of nanocrystalline metals
|
Dobosz, Romuald
|
|
2012
|
53 |
1 |
p. 286-293
8 p.
|
article
|
| 30 |
Finite element simulation of residual stress of double-ceramic-layer La2Zr2O7/8YSZ thermal barrier coatings using birth and death element technique
|
Wang, L.
|
|
2012
|
53 |
1 |
p. 117-127
11 p.
|
article
|
| 31 |
Finite element sintering analysis of metal injection molded copper brown body using thermo-physical data and kinetics
|
Mohsin, Ijaz Ul
|
|
2012
|
53 |
1 |
p. 6-11
6 p.
|
article
|
| 32 |
First-principles calculations on surface hydroxyl impurities in BaF2
|
Shi, H.
|
|
2012
|
53 |
1 |
p. 220-225
6 p.
|
article
|
| 33 |
First-principles investigation of magnetic coupling mechanism in A-site-ordered perovskite CaFe3Ti4O12
|
Li, Hongping
|
|
2012
|
53 |
1 |
p. 329-332
4 p.
|
article
|
| 34 |
First-principles study of phase transition and elastic properties of XBi (X=Ce, Pr) compounds
|
Feng, Wenxia
|
|
2012
|
53 |
1 |
p. 75-78
4 p.
|
article
|
| 35 |
First-principles study of repeated current switching in a bimolecular device
|
Fan, Zhi-Qiang
|
|
2012
|
53 |
1 |
p. 294-297
4 p.
|
article
|
| 36 |
Free vibrations of single-walled carbon nanotubes in the vicinity of a fully constrained graphene sheet
|
Firouz-Abadi, R.D.
|
|
2012
|
53 |
1 |
p. 12-17
6 p.
|
article
|
| 37 |
Grain growth prediction with inclination dependence of ‹110› tilt grain boundary using multi-phase-field model with penalty for multiple junctions
|
Hirouchi, Tomoyuki
|
|
2012
|
53 |
1 |
p. 474-482
9 p.
|
article
|
| 38 |
IFC
|
|
|
2012
|
53 |
1 |
p. IFC-
1 p.
|
article
|
| 39 |
Implicit iterative finite element scheme for a strain gradient crystal plasticity model based on self-energy of geometrically necessary dislocations
|
Kametani, Ryushin
|
|
2012
|
53 |
1 |
p. 53-59
7 p.
|
article
|
| 40 |
Improved Finnis–Sinclair potential for bcc vanadium solid
|
Li, Xiaoqing
|
|
2012
|
53 |
1 |
p. 101-104
4 p.
|
article
|
| 41 |
Interstitial and substitutional zirconium in SrTiO3
|
Jaffe, John E.
|
|
2012
|
53 |
1 |
p. 153-157
5 p.
|
article
|
| 42 |
Modeling of radiation hardening in ferritic/martensitic steel using multi-scale approach
|
Naveen Kumar, N.
|
|
2012
|
53 |
1 |
p. 258-267
10 p.
|
article
|
| 43 |
Modelling and computation of curing and damage of thermosets
|
Mergheim, Julia
|
|
2012
|
53 |
1 |
p. 359-367
9 p.
|
article
|
| 44 |
Modelling of electroreduction of porous oxides in molten salt
|
Ojaghi-Ilkhchi, M.
|
|
2012
|
53 |
1 |
p. 1-5
5 p.
|
article
|
| 45 |
Molecular dynamics simulations of carbon nanotube dispersions in water: Effects of nanotube length, diameter, chirality and surfactant structures
|
Uddin, Nasir M.
|
|
2012
|
53 |
1 |
p. 133-144
12 p.
|
article
|
| 46 |
Molecular dynamics simulations of lattice thermal conductivity and spectral phonon mean free path of PbTe: Bulk and nanostructures
|
Qiu, Bo
|
|
2012
|
53 |
1 |
p. 278-285
8 p.
|
article
|
| 47 |
Multi-scale computational modelling of the mechanical behaviour of the chitosan biological polymer embedded with graphene and carbon nanotube
|
Ebrahimi, Sadollah
|
|
2012
|
53 |
1 |
p. 347-353
7 p.
|
article
|
| 48 |
Nanomechanics of imperfectly straight single walled carbon nanotubes under axial compression by using molecular dynamics simulation
|
Wong, C.H.
|
|
2012
|
53 |
1 |
p. 268-277
10 p.
|
article
|
| 49 |
Nanoscale vibration characterization of multi-layered graphene sheets embedded in an elastic medium
|
Lin, R.M.
|
|
2012
|
53 |
1 |
p. 44-52
9 p.
|
article
|
| 50 |
Nonlinear flow-induced vibration of a SWCNT with a geometrical imperfection
|
Farshidianfar, A.
|
|
2012
|
53 |
1 |
p. 105-116
12 p.
|
article
|
| 51 |
Numerical and experimental estimation of thermomechanical fields heterogeneity at the grain scale of 316L stainless steel
|
Seghir, Rian
|
|
2012
|
53 |
1 |
p. 464-473
10 p.
|
article
|
| 52 |
On the electronic nature of silicon and germanium based oxynitrides and their related mechanical, optical and vibrational properties as obtained from DFT and DFPT
|
Goumri-Said, Souraya
|
|
2012
|
53 |
1 |
p. 158-168
11 p.
|
article
|
| 53 |
On the influence of the shear deformation and boundary conditions on the transverse vibration of multi-walled carbon nanotubes
|
Ambrosini, Daniel
|
|
2012
|
53 |
1 |
p. 214-219
6 p.
|
article
|
| 54 |
Optical and transport properties and electronic structure of nickel doped arsenic chalcogenides
|
Sharma, Yamini
|
|
2012
|
53 |
1 |
p. 451-459
9 p.
|
article
|
| 55 |
Origin of the rigidity in tetragonal MB (M=Cr, Mo and W) and softening of defective WB: First-principles investigations
|
Gou, Huiyang
|
|
2012
|
53 |
1 |
p. 460-463
4 p.
|
article
|
| 56 |
Percolation on grain boundary networks: Application to fission gas release in nuclear fuels
|
Millett, Paul C.
|
|
2012
|
53 |
1 |
p. 31-36
6 p.
|
article
|
| 57 |
Prediction of the elastic properties of syntactic perforated hollow sphere structures
|
Sulong, Mohd Ayub
|
|
2012
|
53 |
1 |
p. 60-66
7 p.
|
article
|
| 58 |
Simulation of static recrystallization in non-isothermal annealing using a coupled cellular automata and finite element model
|
Seyed Salehi, M.
|
|
2012
|
53 |
1 |
p. 145-152
8 p.
|
article
|
| 59 |
Simulation of temperature distribution in single metallic powder layer for laser micro-sintering
|
Yin, Jie
|
|
2012
|
53 |
1 |
p. 333-339
7 p.
|
article
|
| 60 |
Strength analysis of metallic bonded joints containing defects
|
Xu, Wei
|
|
2012
|
53 |
1 |
p. 444-450
7 p.
|
article
|
| 61 |
Stress intensity factor predictions: Comparison and round-off error
|
de Oliveira Miranda, Antonio Carlos
|
|
2012
|
53 |
1 |
p. 354-358
5 p.
|
article
|
| 62 |
Structural, elastic, electronic, chemical bonding and thermodynamic properties of CaMg2N2 and SrMg2N2: First-principles calculations
|
Haddadi, K.
|
|
2012
|
53 |
1 |
p. 204-213
10 p.
|
article
|
| 63 |
Structural, electronic and elastic properties of V5Si3 phases from first-principles calculations
|
Tao, Xiaoma
|
|
2012
|
53 |
1 |
p. 169-174
6 p.
|
article
|
| 64 |
The study of grain boundary density effect on multi-grain thin film under tension
|
Zhao, XueChuan
|
|
2012
|
53 |
1 |
p. 175-186
12 p.
|
article
|
| 65 |
Thickness and chirality effects on tensile behavior of few-layer graphene by molecular dynamics simulations
|
Mortazavi, Bohayra
|
|
2012
|
53 |
1 |
p. 298-302
5 p.
|
article
|
| 66 |
Transverse vibration of nanotube-based micro-mass sensor via nonlocal Timoshenko beam theory
|
Shen, Zhi-Bin
|
|
2012
|
53 |
1 |
p. 340-346
7 p.
|
article
|
| 67 |
Ultimate strength, ripples, sound velocities, and density of phonon states of strained graphene
|
Dmitriev, Sergey V.
|
|
2012
|
53 |
1 |
p. 194-203
10 p.
|
article
|
Journal description