| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
Ab initio study of ferroelectric BiAlO3 (0 0 0 1) polar surfaces
|
Xu, Jie-Wang
|
|
|
150 |
C |
p. 448-453
|
artikel
|
| 2 |
Absorption and temperature effects on the tensile strength of a black phosphorus ribbon in argon environment
|
Wang, Lei
|
|
|
150 |
C |
p. 15-23
|
artikel
|
| 3 |
Adsorption of 3d transition-metal atom on InSe monolayer: A first-principles study
|
Ju, Weiwei
|
|
|
150 |
C |
p. 33-41
|
artikel
|
| 4 |
A first principles study of commonly observed planar defects in Ti/TiB system
|
Nandwana, Peeyush
|
|
|
150 |
C |
p. 197-201
|
artikel
|
| 5 |
Ag-Nb nanoscale multilayer study by global energy minimization
|
Sosa, Eliceo
|
|
|
150 |
C |
p. 96-101
|
artikel
|
| 6 |
A phase field modeling based study of microstructure evolution and its influence on thermal conductivity in polycrystalline tungsten under irradiation
|
Wang, Hao
|
|
|
150 |
C |
p. 169-179
|
artikel
|
| 7 |
Approach and algorithm for generating appropriate doped structures for high-throughput materials screening
|
Zhang, Mingming
|
|
|
150 |
C |
p. 381-389
|
artikel
|
| 8 |
A self-contained algorithm for determination of solid-liquid equilibria in an alloy system
|
Yang, L.
|
|
|
150 |
C |
p. 353-357
|
artikel
|
| 9 |
Atomic-scale structural evolution in selective laser melting of Cu50Zr50 metallic glass
|
Zhang, Yue
|
|
|
150 |
C |
p. 62-69
|
artikel
|
| 10 |
Calculating electronic stopping power in materials from first principles
|
Correa, Alfredo A.
|
|
|
150 |
C |
p. 291-303
|
artikel
|
| 11 |
Combined machine learning and CALPHAD approach for discovering processing-structure relationships in soft magnetic alloys
|
Jha, Rajesh
|
|
|
150 |
C |
p. 202-211
|
artikel
|
| 12 |
Computational study of the electronic, optical and photocatalytic properties of single-layer hexagonal zinc chalcogenides
|
Wang, Jiajun
|
|
|
150 |
C |
p. 432-438
|
artikel
|
| 13 |
Crystal structures of CsSi6 at high pressures
|
Li, Wenjing
|
|
|
150 |
C |
p. 144-148
|
artikel
|
| 14 |
Deformation mechanisms and ductility enhancement in core-shell Cu@Ni nanoporous metals
|
He, Lijie
|
|
|
150 |
C |
p. 397-404
|
artikel
|
| 15 |
Development of Fe-C interatomic potential for carbon impurities in α-iron
|
Nguyen, Tien Quang
|
|
|
150 |
C |
p. 510-516
|
artikel
|
| 16 |
DFT study of M-doped (M = P, As, Bi) VO2 for thermochromic energy-saving materials
|
Ren, Qinghua
|
|
|
150 |
C |
p. 337-345
|
artikel
|
| 17 |
DFT+U study on the electronic structures and optical properties of pyrite and marcasite
|
Li, Yuqiong
|
|
|
150 |
C |
p. 346-352
|
artikel
|
| 18 |
Double twin-like crystalline reorientations in Mg single crystals: Molecular dynamics simulations
|
Zu, Qun
|
|
|
150 |
C |
p. 265-272
|
artikel
|
| 19 |
Editorial Board
|
|
|
|
150 |
C |
p. ii
|
artikel
|
| 20 |
Effect of crystal phase on shear bands initiation and propagation behavior in metallic glass matrix composites
|
Song, H.Y.
|
|
|
150 |
C |
p. 42-46
|
artikel
|
| 21 |
Effect of discrete number of velocity directions of phonon on thermal conductivity prediction in the cross-plane direction of superlattices
|
Shi, Bo
|
|
|
150 |
C |
p. 358-363
|
artikel
|
| 22 |
Effect of magnetic fields on microstructure evolution
|
Goins, Philip E.
|
|
|
150 |
C |
p. 464-474
|
artikel
|
| 23 |
Effect of twist boundary angle on deformation behavior of 〈1 0 0〉 FCC copper nanowires
|
Paul, Surajit Kumar
|
|
|
150 |
C |
p. 24-32
|
artikel
|
| 24 |
Electrical percolation of nanoparticle-polymer composites
|
Wang, Guotong
|
|
|
150 |
C |
p. 102-106
|
artikel
|
| 25 |
Electrocatalytic oxygen evolution with pure and substituted M6(SR)12 (M = Pd, Fe, Rh) complexes
|
Tafen, De Nyago
|
|
|
150 |
C |
p. 283-290
|
artikel
|
| 26 |
Electronic and thermoelectric properties of some CuH crystals
|
Maurya, V.
|
|
|
150 |
C |
p. 329-336
|
artikel
|
| 27 |
Electronic structure and optical properties of the new β -CdCr2O4 phase
|
Núñez-González, Roberto
|
|
|
150 |
C |
p. 405-410
|
artikel
|
| 28 |
Electron-phonon interaction and superconductivity in representative AuCu3-type intermetallic compounds
|
Cao, Jin-Jin
|
|
|
150 |
C |
p. 491-499
|
artikel
|
| 29 |
Embedded atom method potentials for Ce-Ni binary alloy
|
Lei, Yawei
|
|
|
150 |
C |
p. 1-8
|
artikel
|
| 30 |
Energy storage properties of selectively functionalized Cr-group MXenes
|
Zou, Xiangda
|
|
|
150 |
C |
p. 236-243
|
artikel
|
| 31 |
Evolution of atomic structure in phase-separated Cu50Ag50 glass under compression deformation
|
Jia, L.J.
|
|
|
150 |
C |
p. 190-196
|
artikel
|
| 32 |
First-principles calculation of the optoelectronic properties of doped methylammonium lead halide perovskites: A DFT-based study
|
Rahman, Nael Mizanur
|
|
|
150 |
C |
p. 439-447
|
artikel
|
| 33 |
First-principles calculations of water adsorption on perfect and defect WO3(0 0 1)
|
Zhang, Le
|
|
|
150 |
C |
p. 484-490
|
artikel
|
| 34 |
Full field modeling of recrystallization: Effect of intragranular strain gradients on grain boundary shape and kinetics
|
Ilin, D.N.
|
|
|
150 |
C |
p. 149-161
|
artikel
|
| 35 |
γ-Graphyne analogues based on As and Sb elements
|
Yin, Na
|
|
|
150 |
C |
p. 325-328
|
artikel
|
| 36 |
Heat and fluid flow in additive manufacturing – Part II: Powder bed fusion of stainless steel, and titanium, nickel and aluminum base alloys
|
Mukherjee, T.
|
|
|
150 |
C |
p. 369-380
|
artikel
|
| 37 |
Heat and fluid flow in additive manufacturing—Part I: Modeling of powder bed fusion
|
Mukherjee, T.
|
|
|
150 |
C |
p. 304-313
|
artikel
|
| 38 |
Improving direct physical properties prediction of heterogeneous materials from imaging data via convolutional neural network and a morphology-aware generative model
|
Cang, Ruijin
|
|
|
150 |
C |
p. 212-221
|
artikel
|
| 39 |
Influence of dilute solute substitutions in Ni on its generalized stacking fault energies and ductility
|
Kumar, Kaushlendra
|
|
|
150 |
C |
p. 424-431
|
artikel
|
| 40 |
Investigation of impurity induced twinning in MgO from first principles calculations
|
Yang, Bo
|
|
|
150 |
C |
p. 390-396
|
artikel
|
| 41 |
Lattice inversion modified embedded atom method for FCC metals
|
Duan, Xianbao
|
|
|
150 |
C |
p. 418-423
|
artikel
|
| 42 |
Machine learning for phase selection in multi-principal element alloys
|
Islam, Nusrat
|
|
|
150 |
C |
p. 230-235
|
artikel
|
| 43 |
Magnetic semiconductors based on quaternary Heusler compounds
|
Wang, Yue
|
|
|
150 |
C |
p. 321-324
|
artikel
|
| 44 |
Mesoscale simulations of radiation damage effects in Materials: A SEAKMC perspective
|
Ervin, Andrew
|
|
|
150 |
C |
p. 180-189
|
artikel
|
| 45 |
Modeling of binary alloy solidification under conditions representative of Additive Manufacturing
|
Rolchigo, M.R.
|
|
|
150 |
C |
p. 535-545
|
artikel
|
| 46 |
Modeling pseudo-elastic behavior in small-scale ThCr2Si2-type crystals
|
Bakst, Ian N.
|
|
|
150 |
C |
p. 86-95
|
artikel
|
| 47 |
Modelling of austenite transformation along arbitrary cooling paths
|
Pohjonen, Aarne
|
|
|
150 |
C |
p. 244-251
|
artikel
|
| 48 |
Modelling theory of functional element design for metamaterials with arbitrary negative Poisson's ratio
|
Qin, Haoxing
|
|
|
150 |
C |
p. 121-133
|
artikel
|
| 49 |
Morphological and mechanical properties of graphene-reinforced PMMA nanocomposites using a multiscale analysis
|
Lin, F.
|
|
|
150 |
C |
p. 107-120
|
artikel
|
| 50 |
“M-shape” nanoscale friction anisotropy of phosphorene
|
Gong, Hanjun
|
|
|
150 |
C |
p. 364-368
|
artikel
|
| 51 |
Natural convection and solidification of phase-change materials in circular pipes: A SPH approach
|
Alexiadis, Alessio
|
|
|
150 |
C |
p. 475-483
|
artikel
|
| 52 |
New two-dimensional allotrope of single layer IV-V semiconductor XBi (X = Si, Ge, Sn)
|
Xu, Chunyan
|
|
|
150 |
C |
p. 314-320
|
artikel
|
| 53 |
Optimal mass distribution in carbon nanotubes for extreme thermal conductivity: Analytical manipulation of isotope effects
|
Jang, Hong-Lae
|
|
|
150 |
C |
p. 273-282
|
artikel
|
| 54 |
Predicting the thermodynamic stability of perovskite oxides using machine learning models
|
Li, Wei
|
|
|
150 |
C |
p. 454-463
|
artikel
|
| 55 |
Reactive molecular dynamics simulation of the mechanical behavior of sodium aluminosilicate geopolymer and calcium silicate hydrate composites
|
Sadat, Mohammad Rafat
|
|
|
150 |
C |
p. 500-509
|
artikel
|
| 56 |
Reproducibility of vibrational free energy by different methods
|
Korotaev, Pavel
|
|
|
150 |
C |
p. 47-53
|
artikel
|
| 57 |
Site symmetry approach applied to the supercell model of MgAl2O4 spinel with oxygen interstitials: Ab initio calculations
|
Evarestov, Robert A.
|
|
|
150 |
C |
p. 517-523
|
artikel
|
| 58 |
Strain-dependent elastic properties of graphene oxide and its composite
|
Xia, Z.M.
|
|
|
150 |
C |
p. 252-258
|
artikel
|
| 59 |
Strain-induced deformation of the porous structure in binary glasses under tensile loading
|
Priezjev, Nikolai V.
|
|
|
150 |
C |
p. 134-143
|
artikel
|
| 60 |
Structure and thermodynamic properties of zirconium hydrides by structure search method and first principles calculations
|
Zhu, Xueyan
|
|
|
150 |
C |
p. 77-85
|
artikel
|
| 61 |
Study of the effect of osmotic pressure on the water permeability of carbon-based two-dimensional materials
|
Song, Linghao
|
|
|
150 |
C |
p. 9-14
|
artikel
|
| 62 |
Substituting Cs for MA on the surface of MAPbI3 perovskite: A first-principles study
|
Ma, Xia-Xia
|
|
|
150 |
C |
p. 411-417
|
artikel
|
| 63 |
The effect of alkyl chain length on mechanical properties of fatty-acid-functionalized amidoamine-epoxy systems
|
Srikanth, Arun
|
|
|
150 |
C |
p. 70-76
|
artikel
|
| 64 |
Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study
|
Taouali, W.
|
|
|
150 |
C |
p. 54-61
|
artikel
|
| 65 |
Theoretical exploring the mechanical and electrical properties of tI12-B6C4O2
|
Liu, Chao
|
|
|
150 |
C |
p. 259-264
|
artikel
|
| 66 |
Thermodynamic stabilities in the Fe - Fe 16 C 2 system: Influence of carbon-carbon interactions studied by DFT
|
Kandaskalov, Dmytro
|
|
|
150 |
C |
p. 524-534
|
artikel
|
| 67 |
The yielding transition in periodically sheared binary glasses at finite temperature
|
Priezjev, Nikolai V.
|
|
|
150 |
C |
p. 162-168
|
artikel
|
| 68 |
Understanding the temperature and size dependence of the contact angle of Cu/Si(1 1 1): A molecular dynamics study
|
Feng, Xiaofang
|
|
|
150 |
C |
p. 222-229
|
artikel
|
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