| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A combined BCA-MD method with adaptive volume to simulate high-energy atomic-collision cascades in solids under irradiation
|
Ortiz, Christophe J.
|
|
|
154 |
C |
p. 325-334
|
artikel
|
| 2 |
A comparative study on dehydrogenation of Mg-doped LiBH4 and Li2B12H12 from first-principles calculations
|
Mo, Xiaohua
|
|
|
154 |
C |
p. 187-193
|
artikel
|
| 3 |
A data-driven statistical model for predicting the critical temperature of a superconductor
|
Hamidieh, Kam
|
|
|
154 |
C |
p. 346-354
|
artikel
|
| 4 |
A DFT study of H solubility and diffusion in the Fe-Cr system
|
Bruzzoni, P.
|
|
|
154 |
C |
p. 243-250
|
artikel
|
| 5 |
A finite element formulation for macrosegregation during alloy solidification using a fractional step method and equal-order elements
|
Chen, Qipeng
|
|
|
154 |
C |
p. 335-345
|
artikel
|
| 6 |
A multi-scale modeling approach for simulating crack sensing in polymer fibrous composites using electrically conductive carbon nanotube networks. Part I: Micro-scale analysis
|
Tserpes, Konstantinos
|
|
|
154 |
C |
p. 530-537
|
artikel
|
| 7 |
A nanoscale rolling actuator system driven by strain gradient fields
|
Chen, Peijian
|
|
|
154 |
C |
p. 380-392
|
artikel
|
| 8 |
An atomic perspective on twin transmission in magnesium
|
Li, Zhe
|
|
|
154 |
C |
p. 147-151
|
artikel
|
| 9 |
A reactive molecular dynamics simulation study to the disintegration of PVDF and its composite under the impact of a single silicon-oxygen cluster
|
Yuan, Bin
|
|
|
154 |
C |
p. 14-24
|
artikel
|
| 10 |
A study of the hydrogen adsorption mechanism of W18O49 using first-principles calculations
|
Liu, Wenjie
|
|
|
154 |
C |
p. 53-59
|
artikel
|
| 11 |
Atomistic modeling of the orientation-dependent pseudoelasticity in NiTi: Tension, compression, and bending
|
Srinivasan, Prashanth
|
|
|
154 |
C |
p. 25-36
|
artikel
|
| 12 |
A two-class rotation transmission nanobearing driven by gigahertz rotary nanomotor
|
Qiu, Wei
|
|
|
154 |
C |
p. 97-105
|
artikel
|
| 13 |
Can an element form a two-dimensional nanosheet of type 15 pentagons?
|
Liu, Lei
|
|
|
154 |
C |
p. 37-40
|
artikel
|
| 14 |
Computational analysis of paramagnetic spherical Fe3O4 nanoparticles under permanent magnetic fields
|
Karvelas, E.G.
|
|
|
154 |
C |
p. 464-471
|
artikel
|
| 15 |
Computing the effective bulk and normal to shear properties of common two-dimensional architectured materials
|
Karathanasopoulos, N.
|
|
|
154 |
C |
p. 284-294
|
artikel
|
| 16 |
Correlating deformation mechanisms with X-ray diffraction phenomena in nanocrystalline metals using atomistic simulations
|
Foley, Daniel J.
|
|
|
154 |
C |
p. 178-186
|
artikel
|
| 17 |
Coupled mechanical-oxidation modeling during oxidation of thermal barrier coatings
|
Shen, Q.
|
|
|
154 |
C |
p. 538-546
|
artikel
|
| 18 |
Density functional theory-based ab initio molecular dynamics simulation of ionic conduction in N-/F-doped ZrO2 under epitaxial strain
|
Oka, Mayuko
|
|
|
154 |
C |
p. 91-96
|
artikel
|
| 19 |
Design and mechanical characterization of a novel carbon-based hybrid foam: A molecular dynamics study
|
Degirmenci, Unal
|
|
|
154 |
C |
p. 122-131
|
artikel
|
| 20 |
DFT study of [BH4]− rotation in pressure-driven phase transition of MBH4
|
Yao, Zhuan
|
|
|
154 |
C |
p. 143-146
|
artikel
|
| 21 |
Dirac-like band structure of LaTESb2 (TE = Ni, Cu, and Pd) superconductors by DFT calculations
|
Ruszała, Piotr
|
|
|
154 |
C |
p. 106-110
|
artikel
|
| 22 |
Editorial Board
|
|
|
|
154 |
C |
p. ii
|
artikel
|
| 23 |
Electrochemical oligomerization of selenophene and band structure of polyselenophene: A density functional theory study
|
Arı, Hatice
|
|
|
154 |
C |
p. 65-74
|
artikel
|
| 24 |
Fast crack kinking manipulated by atomic hoop stress in monolayer hexagonal boron nitride strip
|
Zhang, Hanqi
|
|
|
154 |
C |
p. 1-7
|
artikel
|
| 25 |
First-principle investigation of pressure and temperature influence on structural, mechanical and thermodynamic properties of Ti3AC2 (A = Al and Si)
|
Zhao, Yuhong
|
|
|
154 |
C |
p. 365-370
|
artikel
|
| 26 |
First principles investigations of the structural, electrical and optical properties of iron-doped zinc oxide (0 0 0 1) surfaces
|
Cheng, Jingsi
|
|
|
154 |
C |
p. 435-441
|
artikel
|
| 27 |
Formation of core (M7C3)-shell (M23C6) structured carbides in white cast irons: A thermo-kinetic analysis
|
Wang, Kun
|
|
|
154 |
C |
p. 111-121
|
artikel
|
| 28 |
Friction and wear reduction via tuning nanoparticle shape under low humidity conditions: A nonequilibrium molecular dynamics simulation
|
Shi, Junqin
|
|
|
154 |
C |
p. 499-507
|
artikel
|
| 29 |
Fundamental properties and phase stability of B1 and B2 phases of MgO over a wide range of pressures and temperatures: A first-principles study
|
Abu-Farsakh, Hazem
|
|
|
154 |
C |
p. 159-168
|
artikel
|
| 30 |
Hyperdynamics accelerated concurrent atomistic-continuum model for developing crack propagation models in elastic crystalline materials
|
Chakraborty, Subhendu
|
|
|
154 |
C |
p. 212-224
|
artikel
|
| 31 |
Ideal adhesive and shear strengths of solid interfaces: A high throughput ab initio approach
|
Restuccia, Paolo
|
|
|
154 |
C |
p. 517-529
|
artikel
|
| 32 |
Impact of isotropic strain on magnetic properties of monolayer SnS2 doped with nonmagnetic metal and nonmetal atoms
|
Luo, M.
|
|
|
154 |
C |
p. 309-314
|
artikel
|
| 33 |
Internal and external thermal expansions of wurtzite ZnO from first principles
|
Liu, Jian
|
|
|
154 |
C |
p. 251-255
|
artikel
|
| 34 |
Liquid-liquid phase transition in nanoconfined Si-rich SiO2 liquids
|
Wang, Zhichao
|
|
|
154 |
C |
p. 426-434
|
artikel
|
| 35 |
Machine learning for predicting occurrence of interphase precipitation in HSLA steels
|
Rahnama, Alireza
|
|
|
154 |
C |
p. 169-177
|
artikel
|
| 36 |
Magnetic semiconductors and half-metals in FeRu-based quaternary Heusler alloys
|
Guo, Xingmiao
|
|
|
154 |
C |
p. 442-448
|
artikel
|
| 37 |
Misfit dislocation networks in semi-coherent miscible phase boundaries: An example for U–Zr interfaces
|
Chen, Elton Y.
|
|
|
154 |
C |
p. 194-203
|
artikel
|
| 38 |
Molecular dynamics investigation of void evolution dynamics in single crystal iron at extreme strain rates
|
Rawat, Sunil
|
|
|
154 |
C |
p. 393-404
|
artikel
|
| 39 |
Molecular mechanisms of tricalcium aluminate under tensile loads
|
Sarkar, Prodip Kumar
|
|
|
154 |
C |
p. 547-556
|
artikel
|
| 40 |
New interatomic potential for simulation of pure magnesium and magnesium hydrides
|
Smirnova, D.E.
|
|
|
154 |
C |
p. 295-302
|
artikel
|
| 41 |
Optical absorption coefficient red shift effect of iodine vacancy in MAPbI3
|
Zhang, X.M.
|
|
|
154 |
C |
p. 138-142
|
artikel
|
| 42 |
Optical and spin coherence properties of NV center in diamond and 3C-SiC
|
Cheng, G.D.
|
|
|
154 |
C |
p. 60-64
|
artikel
|
| 43 |
Origin of deflection of precipitates during interaction with a migrating twin boundary in magnesium alloys
|
Wang, F.X.
|
|
|
154 |
C |
p. 472-480
|
artikel
|
| 44 |
Phase field-elasticity analysis of austenite–martensite phase transformation at the nanoscale: Finite element modeling
|
Mirzakhani, Sam
|
|
|
154 |
C |
p. 41-52
|
artikel
|
| 45 |
Phase-field modeling of austenite grain size effect on martensitic transformation in stainless steels
|
Yeddu, Hemantha Kumar
|
|
|
154 |
C |
p. 75-83
|
artikel
|
| 46 |
Phase stability and mechanical properties of ternary transition elements X(X = Cu,Zn,Ag) in Al3Hf intermetallic from first-principles calculations
|
Hu, Hai
|
|
|
154 |
C |
p. 266-275
|
artikel
|
| 47 |
Primary radiation damage on displacement cascades in UO2, ThO2 and (U0.5Th0 .5)O2
|
Rahman, M.J.
|
|
|
154 |
C |
p. 508-516
|
artikel
|
| 48 |
Rotational behavior of a nanoring protected by argon
|
Shi, Jiao
|
|
|
154 |
C |
p. 132-137
|
artikel
|
| 49 |
Scalable magnetic skyrmions in nanostructures
|
Talapatra, A.
|
|
|
154 |
C |
p. 481-487
|
artikel
|
| 50 |
Stability and superconductivity properties of metal substituted aluminum diborides (M0.5Al0.5B2)
|
Aydin, Sezgin
|
|
|
154 |
C |
p. 234-242
|
artikel
|
| 51 |
Structural stability and electronic properties of the (0 0 0 1) inversion domain boundary in III-nitrides
|
Li, Siqian
|
|
|
154 |
C |
p. 152-158
|
artikel
|
| 52 |
Study on failure mechanism of Cu-polyethylene-Cu sandwich structure by molecular dynamics simulation
|
Meng, Changyu
|
|
|
154 |
C |
p. 315-324
|
artikel
|
| 53 |
Surface segregation and alloying of immiscible Li-Cu and miscible Li-Pb nanoalloys investigated by basin-hopping Monte Carlo method
|
Yang, Jianyu
|
|
|
154 |
C |
p. 371-379
|
artikel
|
| 54 |
Tensile and nanoindentation deformation of amorphous/crystalline nanolaminates: Effects of layer thickness and interface type
|
Jian, W.R.
|
|
|
154 |
C |
p. 225-233
|
artikel
|
| 55 |
The effect of layer thickness ratio on the plastic deformation mechanisms of nanoindented Ti/TiN nanolayered composite
|
Yang, Wei
|
|
|
154 |
C |
p. 488-498
|
artikel
|
| 56 |
The effects of Ti and Cr on binding and diffusion of Al in V alloys: A first-principles study
|
Gao, Xiang
|
|
|
154 |
C |
p. 8-13
|
artikel
|
| 57 |
Thermodynamic assessment of Mg/Zr unary systems
|
Ruan, Yongxin
|
|
|
154 |
C |
p. 355-364
|
artikel
|
| 58 |
Topology optimization of binary microstructures involving various non-volume constraints
|
Sivapuram, Raghavendra
|
|
|
154 |
C |
p. 405-425
|
artikel
|
| 59 |
Trivacancy and Stone-Wales defected silicene for adsorption of small gas molecules
|
Xiao, Yanjun
|
|
|
154 |
C |
p. 276-283
|
artikel
|
| 60 |
Two-dimensional group-VA porous crystals: Diverse electronic structures and photocatalytic properties
|
Zhang, Hui
|
|
|
154 |
C |
p. 459-463
|
artikel
|
| 61 |
Two-dimensional sheet of germanium selenide as an anode material for sodium and potassium ion batteries: First-principles simulation study
|
Sannyal, Arindam
|
|
|
154 |
C |
p. 204-211
|
artikel
|
| 62 |
Understanding migration barriers for monovalent ion insertion in transition metal oxide and phosphate based cathode materials: A DFT study
|
Aksyonov, D.A.
|
|
|
154 |
C |
p. 449-458
|
artikel
|
| 63 |
Understanding the structural, mechanical, thermal, and electronic properties of MgCa bulk metallic glasses by molecular dynamics simulation and density functional theory calculation
|
Ju, Shin-Pon
|
|
|
154 |
C |
p. 256-265
|
artikel
|
| 64 |
Unusual temperature dependence of the solid-liquid interfacial free energy in the Cu-Zr system
|
Hoyt, J.J.
|
|
|
154 |
C |
p. 303-308
|
artikel
|
| 65 |
Zener pinning through coherent precipitate: A phase-field study
|
Chakrabarti, Tamoghna
|
|
|
154 |
C |
p. 84-90
|
artikel
|
Tijdschrift beschrijving