| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio calculations of structural, elastic and thermal properties of TiCr2 and (Ti,Mg)(Mg,Cr)2 Laves phases
|
Sari, A.
|
|
2015
|
|
PA |
p. 348-353
|
artikel
|
| 2 |
Ab initio calculations of the atomic and electronic structures of crystalline PEO3:LiCF3SO3 electrolytes
|
Xue, Sha
|
|
2016
|
|
PA |
p. 170-174
5 p.
|
artikel
|
| 3 |
Ab initio investigations of the phase stability in group IVB and VB transition metal carbides
|
Yu, Xiao-Xiang
|
|
2016
|
|
PA |
p. 318-326
9 p.
|
artikel
|
| 4 |
Ab initio modeling of wall structure and shape in perovskite-based nanotubes
|
Bandura, Andrei V.
|
|
2015
|
|
PA |
p. 124-133
|
artikel
|
| 5 |
Ab-initio study of alloying effects on structure stability and mechanical properties of α-Nb5Si3
|
Shi, Songxin
|
|
2015
|
|
PA |
p. 121-127
|
artikel
|
| 6 |
Ab-initio study of the structure and thermodynamic properties of Ti–Si–N at external pressure
|
Tan, Xin
|
|
2015
|
|
PA |
p. 33-38
|
artikel
|
| 7 |
A fast method for predicting the formation of crystal interfaces and heterocrystals
|
Raclariu, A.-M.
|
|
2015
|
|
PA |
p. 88-93
|
artikel
|
| 8 |
A first principles molecular dynamics study of the relationship between atomic structure and elastic properties of Mg–Zn–Ca amorphous alloys
|
Mahjoub, R.
|
|
2015
|
|
PA |
p. 246-255
|
artikel
|
| 9 |
A first principles study of cohesive, elastic and electronic properties of binary Fe–Zr intermetallics
|
Ali, Kawsar
|
|
2016
|
|
PA |
p. 52-66
15 p.
|
artikel
|
| 10 |
A first-principles study of the mechanical properties of AlN with Raman verification
|
Dai, Yiquan
|
|
2016
|
|
PA |
p. 342-346
5 p.
|
artikel
|
| 11 |
A large-scale simulation method on complex ternary Li–Mn–O compounds for Li-ion battery cathode materials
|
Kong, Fantai
|
|
2016
|
|
PA |
p. 193-204
12 p.
|
artikel
|
| 12 |
A molecular dynamics study of the role of grain size and orientation on compression of nanocrystalline Cu during shock
|
Sichani, Mehrdad M.
|
|
2015
|
|
PA |
p. 226-232
|
artikel
|
| 13 |
A multi-scale computational model using Generalized Method of Cells (GMC) homogenization for multi-phase single crystal metals
|
Ghorbani Moghaddam, M.
|
|
2015
|
|
PA |
p. 44-55
|
artikel
|
| 14 |
Analysis of iron powder design for compaction process
|
Jeong, Jae Hoon
|
|
2015
|
|
PA |
p. 21-30
10 p.
|
artikel
|
| 15 |
Analytical intrinsic electromechanical properties of ferroelectric ceramics under the saturated and unsaturated poling states
|
Hou, Jiankun
|
|
2015
|
|
PA |
p. 327-335
|
artikel
|
| 16 |
An efficient MultiGrid solver for the 3D simulation of composite materials
|
Gu, Hanfeng
|
|
2016
|
|
PA |
p. 230-237
8 p.
|
artikel
|
| 17 |
An efficient RVE formulation for the analysis of the elastic properties of spherical nanoparticle reinforced polymers
|
Pontefisso, Alessandro
|
|
2015
|
|
PA |
p. 319-326
|
artikel
|
| 18 |
An interfacial debonding-induced damage model for graphite nanoplatelet polymer composites
|
Safaei, M.
|
|
2015
|
|
PA |
p. 191-199
|
artikel
|
| 19 |
An interlayer expansion model for counterion-intercalated montmorillonite from first-principles calculations
|
Shi, Jing
|
|
2015
|
|
PA |
p. 134-139
|
artikel
|
| 20 |
A nucleation algorithm for the coupled conserved–nonconserved phase field model
|
Jokisaari, A.M.
|
|
2016
|
|
PA |
p. 128-138
11 p.
|
artikel
|
| 21 |
Application of thermodynamic activity models to the equilibrium potential for lithium intercalation process of a cobalt-free cathode material with a layered structure
|
Lee, Jae-Won
|
|
2015
|
|
PA |
p. 80-83
4 p.
|
artikel
|
| 22 |
Arithmetic extraction of elastic constants of cubic crystals from first-principles calculations of stress
|
Liu, Wei
|
|
2015
|
|
PA |
p. 117-123
|
artikel
|
| 23 |
A simple faceting model for the interfacial and cleavage energies of Σ 3 grain boundaries in the complete boundary plane orientation space
|
Banadaki, Arash Dehghan
|
|
2016
|
|
PA |
p. 147-160
14 p.
|
artikel
|
| 24 |
A simulation-based determination of cap parameters of the modified Drucker–Prager cap model by considering specimen barreling during conventional triaxial testing
|
Shin, Hyunho
|
|
2015
|
|
PA |
p. 31-38
8 p.
|
artikel
|
| 25 |
A solution to the problem of the mesh anisotropy in cellular automata simulations of grain growth
|
Zinovieva, O.
|
|
2015
|
|
PA |
p. 168-176
|
artikel
|
| 26 |
Atomic dynamics of grain boundaries in bulk nanocrystalline aluminium: A molecular dynamics simulation study
|
Hou, Z.Y.
|
|
2015
|
|
PA |
p. 177-182
|
artikel
|
| 27 |
Atomistic modeling of the effect of calcium on the yield surface of nanopolycrystalline magnesium-based alloys
|
Reddy, Raghuram
|
|
2016
|
|
PA |
p. 219-229
11 p.
|
artikel
|
| 28 |
Atomistic tight-binding theory in CdSe/ZnSe wurtzite core/shell nanocrystals
|
Sukkabot, Worasak
|
|
2015
|
|
PA |
p. 336-341
|
artikel
|
| 29 |
Band structure modulation in MoS2 multilayers and heterostructures through electric field and strain
|
Lanzillo, Nicholas A.
|
|
2016
|
|
PA |
p. 377-382
6 p.
|
artikel
|
| 30 |
Calculation of plastic strain ratio of AA1050 Al alloy sheet processed by heavy asymmetric rolling–annealing followed by light rolling–annealing
|
Lee, Jin-Hyuk
|
|
2015
|
|
PA |
p. 45-51
7 p.
|
artikel
|
| 31 |
Characterizing nanotube–polymer interaction using molecular dynamics simulation
|
Rafiee, Roham
|
|
2016
|
|
PA |
p. 356-363
8 p.
|
artikel
|
| 32 |
Computational design of novel carbon enriched Si1− x C x ceramics: A molecular dynamics simulation study
|
Adnan, Ashfaq
|
|
2015
|
|
PA |
p. 354-359
|
artikel
|
| 33 |
Computational modeling of structure formation during dielectrophoresis in particulate composites
|
Gutiérrez, M.A.
|
|
2016
|
|
PA |
p. 139-146
8 p.
|
artikel
|
| 34 |
Contents
|
|
|
2015
|
|
PA |
p. vi-
1 p.
|
artikel
|
| 35 |
Corrigendum to: “Effect of Ni solute on grain boundary diffusivity and structure of βSn” [Comput. Mater. Sci. 92 (2014) 1–7]
|
Lee, Yongchang
|
|
2015
|
|
PA |
p. 379
|
artikel
|
| 36 |
Density functional investigation of spin polarization in bulk and thin films of nitrogen intercalated Cu3N
|
Rezaei Sani, Seyed Mojtaba
|
|
2015
|
|
PA |
p. 39-43
|
artikel
|
| 37 |
Density function theoretical and experimental study of NH3 +NO x adsorptions on MnO x /TiO2 surface
|
Zhang, Liangjing
|
|
2016
|
|
PA |
p. 238-244
7 p.
|
artikel
|
| 38 |
Developing a full range S–N curve and estimating cumulative fatigue damage of steel elements
|
Bandara, Chaminda S.
|
|
2015
|
|
PA |
p. 96-101
|
artikel
|
| 39 |
DFT investigations of silicane/graphane conformers
|
Drissi, L.B.
|
|
2015
|
|
PA |
p. 165-170
|
artikel
|
| 40 |
DFT studies on Pt3M (M=Pt, Ni, Mo, Ru, Pd, Rh) clusters for CO oxidation
|
Lian, Xin
|
|
2015
|
|
PA |
p. 237-245
|
artikel
|
| 41 |
Diffusion properties of Fe–C systems studied by using kinetic activation–relaxation technique
|
Restrepo, Oscar A.
|
|
2016
|
|
PA |
p. 96-106
11 p.
|
artikel
|
| 42 |
Discrete element modelling of flexible fibre packing
|
Langston, Paul
|
|
2015
|
|
PA |
p. 108-116
|
artikel
|
| 43 |
Effective transport properties of 3D multi-component microstructures with interface resistance
|
Roussel, Denis
|
|
2015
|
|
PA |
p. 277-283
|
artikel
|
| 44 |
Effect of boundary conditions on plasticity and creep behavior analysis of particle reinforced composites by representative volume element approach
|
Cho, Yi Je
|
|
2015
|
|
PA |
p. 67-75
9 p.
|
artikel
|
| 45 |
Effect of strain on the optical properties of LaNiO3: A first-principle study
|
Misra, D.
|
|
2016
|
|
PA |
p. 113-119
7 p.
|
artikel
|
| 46 |
Effect of structural defects on the hydrogen adsorption in promising nanostructures
|
Devi, N.R.
|
|
2015
|
|
PA |
p. 284-289
|
artikel
|
| 47 |
Effect of ternary additions to structural properties of NiTi alloys
|
Singh, Navdeep
|
|
2016
|
|
PA |
p. 347-355
9 p.
|
artikel
|
| 48 |
Effect of twin boundaries and structural polytypes on electron transport in GaAs
|
Qian, Xiaofeng
|
|
2015
|
|
PA |
p. 258-263
|
artikel
|
| 49 |
Effects of rare-earth on the cohesion of Ni Σ5 (012) grain boundary from first-principles calculations
|
Liu, Wenguan
|
|
2015
|
|
PA |
p. 374-378
|
artikel
|
| 50 |
Efficiency assessment of novel materials based flexible thermoelectric devices by a multiscale modeling approach
|
Bella, Malika
|
|
2015
|
|
PA |
p. 264-269
|
artikel
|
| 51 |
Elastic, electronic, lattice dynamical properties and electron–phonon interaction in the ternary superconductors Ba(GaGe) and Ba(GaSi)
|
Parlak, Cihan
|
|
2015
|
|
PA |
p. 360-364
|
artikel
|
| 52 |
Elastic properties of rhombohedral, cubic, and monoclinic phases of LaNiO3 by first principles calculations
|
Masys, Š.
|
|
2015
|
|
PA |
p. 153-159
|
artikel
|
| 53 |
Electric field and strain tunable electronic structures in monolayer Black Phosphorus
|
Cao, Tengfei
|
|
2016
|
|
PA |
p. 297-303
7 p.
|
artikel
|
| 54 |
Electronic and dielectric properties of Ruddlesden–Popper type and Magnéli type SrTiO3
|
Guan, Li
|
|
2015
|
|
PA |
p. 223-228
|
artikel
|
| 55 |
Electronic properties of energy harvesting Cu-chalcogenides: p–d hybridization and d-electron localization
|
Zhang, Yubo
|
|
2015
|
|
PA |
p. 239-249
|
artikel
|
| 56 |
Electronic structure, anisotropic elastic and thermal properties of the η phase Fe6W6C
|
Chong, XiaoYu
|
|
2015
|
|
PA |
p. 205-211
|
artikel
|
| 57 |
Electronic structures of double-walled armchair SiC nanotube under transverse electric fields
|
Song, Jiuxu
|
|
2015
|
|
PA |
p. 28-32
|
artikel
|
| 58 |
Electron tunneling in Fe/KNbO3/Fe multiferroic tunnel junctions
|
Zhang, Hu
|
|
2016
|
|
PA |
p. 257-262
6 p.
|
artikel
|
| 59 |
Evaluation of mechanical characteristics of nano modified epoxy based polymers using molecular dynamics
|
Sindu, B.S.
|
|
2015
|
|
PA |
p. 146-158
|
artikel
|
| 60 |
Extension of the NRL tight-binding method to include f orbitals and applications in Th, Ac, La and Yb
|
Durgavich, Joel
|
|
2016
|
|
PA |
p. 395-404
10 p.
|
artikel
|
| 61 |
Finite-element analysis of severe plastic deformation in differential-speed rolling
|
Park, Jong-Jin
|
|
2015
|
|
PA |
p. 61-66
6 p.
|
artikel
|
| 62 |
Finite element analysis of the powder metallurgy process for manufacturing LED ceramic sub-mounts
|
Jeong, Myeong-Sik
|
|
2015
|
|
PA |
p. 15-20
6 p.
|
artikel
|
| 63 |
First-principles investigation of the magnetic structures and pressure-induced magnetic phase transition in magnetocaloric MnRhAs
|
Zhang, Yuemei
|
|
2016
|
|
PA |
p. 34-38
5 p.
|
artikel
|
| 64 |
First-principles investigation on Cu/ZnO catalyst precursor: Energetic, structural and electronic properties of Zn-doped Cu2(OH)2CO3
|
Li, Jiao
|
|
2015
|
|
PA |
p. 1-9
|
artikel
|
| 65 |
First-principles study of B or Al-doping effect on the structural, electronic structure and magnetic properties of γ-graphyne
|
Yun, Jiangni
|
|
2015
|
|
PA |
p. 147-152
|
artikel
|
| 66 |
First-principles study of native defects in LiTi2O4
|
Duan, Huan
|
|
2015
|
|
PA |
p. 263-267
|
artikel
|
| 67 |
First-principles study of Si3N2
|
Manyali, George S.
|
|
2015
|
|
PA |
p. 140-145
|
artikel
|
| 68 |
First-principles study of structural, elastic, electronic and thermodynamic properties of topological insulator Sb2Te3 under pressure
|
Zhang, Huaiyong
|
|
2015
|
|
PA |
p. 342-347
|
artikel
|
| 69 |
First-principles study on the interfacial magnetic and electronic properties of Fe4N(001)/Si and Fe4N(111)/graphene bilayers
|
Feng, Nan
|
|
2015
|
|
PA |
p. 256-262
|
artikel
|
| 70 |
First-principle study of stacking fault energy for ZnSe single crystal
|
Liu, Cuixia
|
|
2015
|
|
PA |
p. 81-84
|
artikel
|
| 71 |
Formation of carbon nanoscrolls from graphene nanoribbons: A molecular dynamics study
|
Wang, Y.
|
|
2015
|
|
PA |
p. 300-305
|
artikel
|
| 72 |
Gradient copolymers of thiophene and pyrrole for photovoltaics
|
Williams, Ben M.
|
|
2015
|
|
PA |
p. 69-71
|
artikel
|
| 73 |
Gupta potentials for five HCP rare earth metals
|
Li, Xiaojie
|
|
2016
|
|
PA |
p. 75-79
5 p.
|
artikel
|
| 74 |
Heterogeneous nucleation at inoculant particles in a glass forming alloy: An ab initio molecular dynamics investigation of interfacial properties and local chemical bonding
|
Mahjoub, R.
|
|
2015
|
|
PA |
p. 94-102
|
artikel
|
| 75 |
IFC
|
|
|
2016
|
|
PA |
p. IFC-
1 p.
|
artikel
|
| 76 |
IFC
|
|
|
2015
|
|
PA |
p. IFC
|
artikel
|
| 77 |
IFC
|
|
|
2015
|
|
PA |
p. IFC
|
artikel
|
| 78 |
IFC
|
|
|
2015
|
|
PA |
p. IFC-
1 p.
|
artikel
|
| 79 |
Impact of grain size and grain size distribution on the resistivity of metal nanocrystalline systems
|
Su, Chengren
|
|
2015
|
|
PA |
p. 62-65
|
artikel
|
| 80 |
Impact of segregated interstitials on structures and energies of tilt grain boundaries in Mo
|
Novoselov, I.I.
|
|
2016
|
|
PA |
p. 276-281
6 p.
|
artikel
|
| 81 |
Induced spin polarization in Fe2VAl by substitution of Co at Fe site
|
Jain, Vivek Kumar
|
|
2015
|
|
PA |
p. 56-61
|
artikel
|
| 82 |
Initiation, evolution, and saturation of coupled grain boundary motion in nanocrystalline materials
|
Wang, Peng
|
|
2016
|
|
PA |
p. 289-296
8 p.
|
artikel
|
| 83 |
In-silico design of a new energetic material—1-Amino-5-nitrotetrazole with high energy and density
|
Zhou, S.Y.
|
|
2016
|
|
PA |
p. 67-74
8 p.
|
artikel
|
| 84 |
Investigation of interfaces in Mg/Nb multilayer thin films
|
Junkaew, A.
|
|
2015
|
|
PA |
p. 212-225
|
artikel
|
| 85 |
Investigation of the local structural rearrangement of Mg67Zn28Ca5 bulk metallic glasses during tensile deformation: A molecular dynamics study
|
Ju, Shin-Pon
|
|
2015
|
|
PA |
p. 56-62
|
artikel
|
| 86 |
Li doped Mg2Si p-type thermoelectric material: Theoretical and experimental study
|
Kolezynski, Andrzej
|
|
2015
|
|
PA |
p. 84-88
5 p.
|
artikel
|
| 87 |
Magnetic and structural properties of single 3d transition metals adsorbed on corannulene: A density functional theory study
|
Afshar, Mahdi
|
|
2016
|
|
PA |
p. 92-95
4 p.
|
artikel
|
| 88 |
Magneto-rheological model for computational analysis of magnetic micro powder injection molding
|
Jung, Im Doo
|
|
2015
|
|
PA |
p. 39-44
6 p.
|
artikel
|
| 89 |
Material synthesis and design from first principle calculations and machine learning
|
Takahashi, Keisuke
|
|
2016
|
|
PA |
p. 364-367
4 p.
|
artikel
|
| 90 |
Mechanical modeling based on numerical homogenization of an Al2O3/Al composite manufactured via binder jet printing
|
Myers, K.
|
|
2015
|
|
PA |
p. 128-135
|
artikel
|
| 91 |
Mechanical properties of graphene nanoribbons with disordered edges
|
Tabarraei, Alireza
|
|
2015
|
|
PA |
p. 10-19
|
artikel
|
| 92 |
Micromechanical modelling of bending under tension forming behaviour of dual phase steel 600
|
Wei, X.
|
|
2015
|
|
PA |
p. 72-79
|
artikel
|
| 93 |
Micromechanical modelling of nanocrystalline and ultrafine grained metals: A short overview
|
Mishnaevsky Jr., Leon
|
|
2015
|
|
PA |
p. 365-373
|
artikel
|
| 94 |
Micromechanical simulation of grain boundary cavitation in copper considering non-proportional loading
|
Ozhoga-Maslovskaja, Oksana
|
|
2015
|
|
PA |
p. 178-184
|
artikel
|
| 95 |
Minimum thermal conductivity in periodically twinned SrTiO3
|
Li, Weixuan
|
|
2016
|
|
PA |
p. 107-112
6 p.
|
artikel
|
| 96 |
Modelling CO2 adsorption and separation on experimentally-realized B40 fullerene
|
Gao, Guoping
|
|
2015
|
|
PA |
p. 38-41
|
artikel
|
| 97 |
Modelling the microstructure of martensitic steels
|
Rahnama, A.
|
|
2015
|
|
PA |
p. 102-107
|
artikel
|
| 98 |
Modelling the role of slips and twins in magnesium alloys under cyclic shear
|
Wang, H.
|
|
2015
|
|
PA |
p. 214-218
|
artikel
|
| 99 |
Molecular dynamics simulation of nanoindentation of nanocrystalline Al/Ni multilayers
|
Chamani, M.
|
|
2016
|
|
PA |
p. 175-184
10 p.
|
artikel
|
| 100 |
Molecular dynamics simulation of the influence of elliptical void interaction on the tensile behavior of aluminum
|
Cui, Yi
|
|
2015
|
|
PA |
p. 103-113
|
artikel
|
| 101 |
Molecular dynamics simulation on interfacial mechanical properties of polymer nanocomposites with wrinkled graphene
|
Liu, Feng
|
|
2015
|
|
PA |
p. 160-167
|
artikel
|
| 102 |
Molecular dynamics studies on the correlation of undercoolability and thermophysical properties of liquid Ni–Al alloys
|
Xia, Y.
|
|
2016
|
|
PA |
p. 383-394
12 p.
|
artikel
|
| 103 |
Molecular dynamics study on atomic elastic stiffness at mode I crack tip in Si: Precursor instability in their eigenvalue before crack propagation
|
Yashiro, K.
|
|
2016
|
|
PA |
p. 120-127
8 p.
|
artikel
|
| 104 |
Multiscale ab initio simulation of Ni-based alloys: Real-space distribution of atoms in γ + γ′ phase
|
Chandran, Mahesh
|
|
2015
|
|
PA |
p. 192-204
|
artikel
|
| 105 |
Nonequilibrium free-energy calculation of solids using LAMMPS
|
Freitas, Rodrigo
|
|
2016
|
|
PA |
p. 333-341
9 p.
|
artikel
|
| 106 |
Numerical analysis of the influence of number of grains, FE mesh density and friction coefficient on representativeness aspects of the polycrystalline digital material representation – Plane strain deformation case study
|
Szyndler, Joanna
|
|
2015
|
|
PA |
p. 200-213
|
artikel
|
| 107 |
Numerical predictions of the mechanical properties of NT-ZnOw reinforced composites
|
Rong, Ji-Li
|
|
2015
|
|
PA |
p. 185-190
|
artikel
|
| 108 |
Phase field modelling of microstructural evolution during the quenching and partitioning treatment in low-alloy steels
|
Mecozzi, M.G.
|
|
2016
|
|
PA |
p. 245-256
12 p.
|
artikel
|
| 109 |
Phase stability of N substituted Li2 − x FeSiO4 electrode material: DFT calculations
|
Zhu, Lin
|
|
2015
|
|
PA |
p. 290-294
|
artikel
|
| 110 |
Polar and nonpolar structures of BiCrO3 from first-principles calculations
|
Ding, Jun
|
|
2015
|
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PA |
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Predicting Young’s modulus of CNT-reinforced polymers
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Prediction of the glass-forming ability of Fe–B binary alloys based on a continuum-field-multi-phase-field model
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Wu, X.H.
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Preface to the ISNNM13 special issue
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Kim, Hyoung Seop
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Properties of armchair ZnTe nanotubes: A density functional study
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Das, Monoj
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Rectifying and conductance switch behaviors of molecular devices modulated by intramolecular hydrogen bonding
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Song, Yang
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Room temperature multiferroism in CaTcO3 by interface engineering
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Wang, Hongwei
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2015
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p. 171-177
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| 117 |
Simulation of compression behavior and strain-rate effect for aluminum foam sandwich panels
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Dou, Renjun
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2016
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5 p.
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Simulation of interface damage in metal matrix composites under off-axis loading using cohesive zone model
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2015
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p. 42-47
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Simulation of TiO2 particle trajectory in AC electric field
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Riahifar, Reza
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2015
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p. 183-191
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| 120 |
Simulation study on the influence of distribution of temperature, gas flow rate and gas component on SiC nanowires grew in self-designed CVD reaction chamber
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Li, Zhenjiang
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2015
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p. 63-68
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| 121 |
Solute–grain boundary interaction and segregation formation in Al: First principles calculations and molecular dynamics modeling
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2016
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Special quasirandom structures of alon
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Scott Weingarten, N.
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p. 312-318
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| 123 |
Spring-back and spring-go behaviors in bending of thick plates of high-strength steel at elevated temperature
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Lee, Joonhang
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2015
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Stability and electronic structure of MgAl2O4(111) surfaces: A first-principles study
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Li, Xiao
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2016
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Stability of binary and ternary M23C6 carbides from first principles
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Medvedeva, N.I.
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p. 159-164
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Strained phonon–phonon scattering in carbon nanotubes
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Chu, Yanbiao
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Strain energy limitations in Monte Carlo Potts modeling of grain growth
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Williamson, A.
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| 128 |
Structural, elastic, thermodynamic, electronic properties and phase transition in half-Heusler alloy NiVSb at high pressures
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Gu, Jian-Bing
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2015
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| 129 |
Structural, electronic and optical properties of Zn0.5Cr0.5S from first-principles
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Yin, Zhu-Hua
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2016
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Study of cohesion and adhesion properties of asphalt concrete with molecular dynamics simulation
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Xu, Guangji
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2016
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| 131 |
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Kuzubov, Alexander A.
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2016
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TE Design Lab: A virtual laboratory for thermoelectric material design
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Gorai, Prashun
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Tensile response of bi-crystalline Si nanofilms with twist and tilt grain boundaries
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Lin, Pamela
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The AFLOW standard for high-throughput materials science calculations
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Calderon, Camilo E.
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| 135 |
The band-gap of Tl-doped gallium nitride alloys
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Winiarski, M.J.
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| 136 |
The compensational boundary method to calculate the projected contact area of nanoindentation in atomistic simulations
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Xu, Zhenhai
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2016
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The effects of uniaxial and biaxial strain on the electronic structure of germanium
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2016
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The electronic and the magnetic properties of Mn doped wurtzite CdS: First-principles calculations
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Nabi, Azeem
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2016
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Tang, Fei
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2016
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Chen, Jie-Shi
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2015
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The non-equilibrium crystallization of Cu3Au with cooling rate near criticality
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Chen, Gang
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2016
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Theoretical investigation on the interaction of subnano platinum clusters with graphene using DFT methods
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Qi, Qiaofang
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p. 268-276
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| 143 |
The possibilities to lower the stacking fault energies of aluminum materials investigated by first-principles energy calculations
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Liu, L.H.
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2015
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| 144 |
Thermal conductivity of monolayer hexagonal boron nitride nanoribbons
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Tabarraei, Alireza
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| 145 |
Thermal diffusion of correlated Li-ions in graphite: A hybrid quantum–classical simulation study
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Ohba, Nobuko
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| 146 |
Thermodynamically self-consistent method to predict thermophysical properties of ionic oxides
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Seifitokaldani, Ali
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| 147 |
Thermodynamics of atomic ordering in Cu–Zn–Al: A Monte Carlo study
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Lanzini, Fernando
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Thermoelectric properties of Nowotny–Juza NaZnX (X=P, As and Sb) compounds
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Reshak, A.H.
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| 149 |
The theoretical investigation of the β-crystobalite structure under the effect of electric field
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Li, Huiran
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2015
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| 150 |
The typical manners of dynamic crack propagation along the metal/ceramics interfaces: A molecular dynamics study
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Thin film metallization by supersonic spraying of copper and nickel nanoparticles on a silicon substrate
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Lee, Jong-Gun
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| 152 |
Three-dimensional crystal plasticity finite element analysis of microstructure and texture evolution during channel die compression of IF steel
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Kim, Dong-Kyu
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2015
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Three-dimensional mesoscopic modeling of equiaxed dendritic solidification of a binary alloy
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2016
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Three-dimensional real structure-based finite element analysis of mechanical behavior for porous titanium manufactured by a space holder method
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Lee, Dong Jun
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2015
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Uranium vacancy mobility at the Σ5 symmetric tilt and Σ5 twist grain boundaries in UO2
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Uberuaga, Blas Pedro
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Using a scalar parameter to trace dislocation evolution in atomistic modeling
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Yang, J.B.
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Validation of a novel higher-order multi-phase-field model for grain-growth simulations using anisotropic grain-boundary properties
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Vibrational contribution to thermal transport in liquid cooper: Equilibrium molecular dynamics study
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Wave mode high voltage consolidation of powder materials
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Wave propagation in fluid-conveying viscoelastic carbon nanotubes based on nonlocal strain gradient theory
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Li, Li
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