| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A crystal-plasticity model of extruded AM30 magnesium alloy
|
Zhou, Rongxin
|
|
|
170 |
C |
p.
|
artikel
|
| 2 |
A first-principles study of β F ′ phase in magnesium-rare earth binary systems
|
Liu, Y.X.
|
|
|
170 |
C |
p.
|
artikel
|
| 3 |
Asymmetrical response of edge pyramidal dislocations in HCP zirconium under tension and compression: A molecular dynamics study
|
Dai, Cong
|
|
|
170 |
C |
p.
|
artikel
|
| 4 |
A systematic determination of hubbard U using the GBRV ultrasoft pseudopotential set
|
Bennett, Joseph W.
|
|
|
170 |
C |
p.
|
artikel
|
| 5 |
Atomistic modelling of the hypervelocity dynamics of shock-compressed graphite and impacted graphene armours
|
Signetti, Stefano
|
|
|
170 |
C |
p.
|
artikel
|
| 6 |
Characterization and quantification of numerical errors in threshold displacement energy calculated by molecular dynamics in bcc-Fe
|
Park, Sehyeok
|
|
|
170 |
C |
p.
|
artikel
|
| 7 |
Charge carrier and optoelectronic properties of phenylimidazo[1,5-a]pyridine-containing small molecules at molecular and solid-state bulk scales
|
Irfan, Ahmad
|
|
|
170 |
C |
p.
|
artikel
|
| 8 |
Comparative study of different anisotropy and potential formulations of phase-field models for dendritic solidification
|
Kundin, Julia
|
|
|
170 |
C |
p.
|
artikel
|
| 9 |
Comprehensive molecular dynamics studies of the ballistic resistance of multilayer graphene-polymer composite
|
Dewapriya, M.A.N.
|
|
|
170 |
C |
p.
|
artikel
|
| 10 |
Computational design of a single crystal nickel-based superalloy with improved specific creep endurance at high temperature
|
Menou, Edern
|
|
|
170 |
C |
p.
|
artikel
|
| 11 |
Computational procedure to an accurate DFT simulation to solid state systems
|
Gomes, Eduardo O.
|
|
|
170 |
C |
p.
|
artikel
|
| 12 |
Conjugated microporous polymers as novel adsorbent materials for VOCs capture: A computational study
|
Fan, Wen-Jie
|
|
|
170 |
C |
p.
|
artikel
|
| 13 |
Defect energetics for diffusion in CrMnFeCoNi high-entropy alloy from first-principles calculations
|
Mizuno, Masataka
|
|
|
170 |
C |
p.
|
artikel
|
| 14 |
Determining phase transition using potential energy distribution and surface energy of Pd nanoparticles
|
Azadeh, Maryam
|
|
|
170 |
C |
p.
|
artikel
|
| 15 |
Development of novel Moving Wave Front image processing algorithm and microstructural quantification of Tungsten Heavy Alloy
|
Vasavada, Jitesh
|
|
|
170 |
C |
p.
|
artikel
|
| 16 |
DFT calculations: A powerful tool for better understanding of electrocatalytic oxygen reduction reactions on Pt-based metallic catalysts
|
Fu, Chengrui
|
|
|
170 |
C |
p.
|
artikel
|
| 17 |
Dislocation interactions during nanoindentation of nickel-graphene nanocomposites
|
Vardanyan, Vardan Hoviki
|
|
|
170 |
C |
p.
|
artikel
|
| 18 |
Editorial Board
|
|
|
|
170 |
C |
p.
|
artikel
|
| 19 |
Effects of co-doping on electronic structure and optical properties of 3C-SiC from first-principles method
|
Lu, Xuefeng
|
|
|
170 |
C |
p.
|
artikel
|
| 20 |
Effects of electron-correlation, spin-orbit coupling, and modified Becke-Johnson potential in double perovskites SrLaBB′O6(B = Ni, Fe; B′ = Os, Ru)
|
Yadav, Dinesh Kumar
|
|
|
170 |
C |
p.
|
artikel
|
| 21 |
Effects of tensile strain rate and grain size on the mechanical properties of nanocrystalline T-carbon
|
Wang, Ying
|
|
|
170 |
C |
p.
|
artikel
|
| 22 |
Elastic properties of Co-base alloys: An ab initio study
|
Zhang, Hualei
|
|
|
170 |
C |
p.
|
artikel
|
| 23 |
Elastic properties of graphyne-based nanotubes
|
De Sousa, J.M.
|
|
|
170 |
C |
p.
|
artikel
|
| 24 |
Electronic and magnetic properties of single-layer boron phosphide associated with materials processing defects
|
Obeid, Mohammed M.
|
|
|
170 |
C |
p.
|
artikel
|
| 25 |
Energetically-favorable distribution of oxygen vacancies and metal atoms in perovskite BaCe x Zr0.85− x Y0.15O2.925 solid solutions using a genetic algorithm and lattice statics
|
Choi, In-Gyu
|
|
|
170 |
C |
p.
|
artikel
|
| 26 |
Estimation of the solid-liquid interface energy for metal elements
|
Jiang, Xiaobao
|
|
|
170 |
C |
p.
|
artikel
|
| 27 |
First-principle investigation of electronic structures and interactions of foreign interstitial atoms (C, N, B, O) and intrinsic point defects in body- and face-centered cubic iron lattice: A comparative analysis
|
Ahlawat, Sarita
|
|
|
170 |
C |
p.
|
artikel
|
| 28 |
First-principles study on the mechanical properties of interstitial solid solution Aluminum–Boron alloy
|
Sun, Shiyang
|
|
|
170 |
C |
p.
|
artikel
|
| 29 |
First-principles thermal compatibility between Ru-based Re-substitute alloys and Ir coatings
|
Sun, Ruoshi
|
|
|
170 |
C |
p.
|
artikel
|
| 30 |
Formation and migration of helium pair in bcc Fe from first principle calculations
|
Li, Liuliu
|
|
|
170 |
C |
p.
|
artikel
|
| 31 |
General yield behaviors of the {1 1 0} hexagonal dislocation networks in body centered cubic metal molybdenum
|
Xia, Z.Y.
|
|
|
170 |
C |
p.
|
artikel
|
| 32 |
Graphene/GeTe van der Waals heterostructure: Functional Schottky device with modulated Schottky barriers via external strain and electric field
|
Gao, Xu
|
|
|
170 |
C |
p.
|
artikel
|
| 33 |
High temperature–high pressure phase transformation of Cu
|
Dey, Urmimala
|
|
|
170 |
C |
p.
|
artikel
|
| 34 |
How well do implicit solvation models represent intermolecular binding energies in organic-inorganic solutions?
|
Sorenson, Blaire A.
|
|
|
170 |
C |
p.
|
artikel
|
| 35 |
Influence of melt convection on the morphological evolution of seaweed structures: Insights from phase-field simulations
|
Pavan Laxmipathy, V.
|
|
|
170 |
C |
p.
|
artikel
|
| 36 |
In silico study of α-γ phase transformation in hexahydro-1,3,5-trinitro-1,3,5-triazine
|
Josyula, Kartik
|
|
|
170 |
C |
p.
|
artikel
|
| 37 |
Intergranular-stress corrosion cracking mechanism of brass in H2S environment: A DFT study
|
Sun, Shuangqing
|
|
|
170 |
C |
p.
|
artikel
|
| 38 |
Investigation of the elastoplastic and fracture behavior of solid materials considering microstructural anisotropy: A discrete element modeling study
|
He, Yong
|
|
|
170 |
C |
p.
|
artikel
|
| 39 |
Long-term microstructural evolution of tungsten under heat and neutron loads
|
Mannheim, A.
|
|
|
170 |
C |
p.
|
artikel
|
| 40 |
Machine learning models for the lattice thermal conductivity prediction of inorganic materials
|
Chen, Lihua
|
|
|
170 |
C |
p.
|
artikel
|
| 41 |
Mechanical and transport properties of Bi x Sb 2 - x Te 3 single quintuple layers
|
Li, Zhen
|
|
|
170 |
C |
p.
|
artikel
|
| 42 |
Micromechanical modeling of short crack nucleation and growth in high cycle fatigue of martensitic microstructures
|
Lindroos, Matti
|
|
|
170 |
C |
p.
|
artikel
|
| 43 |
Modeling of atomistic scale shear failure of Ag/MgO interface with misfit dislocation network
|
Fu, X.Q.
|
|
|
170 |
C |
p.
|
artikel
|
| 44 |
Molecular dynamics simulation of phase transformation of fused silica under nanoparticle impact: The influence of temperature and impact velocity
|
Shen, Rong-qi
|
|
|
170 |
C |
p.
|
artikel
|
| 45 |
Molecular dynamics simulation on local structure and thermodynamic properties of molten ternary chlorides systems for thermal energy storage
|
Wu, Jie
|
|
|
170 |
C |
p.
|
artikel
|
| 46 |
Molecular dynamics study on drag reduction mechanism of nonwetting surfaces
|
Shi, Lin
|
|
|
170 |
C |
p.
|
artikel
|
| 47 |
Multiphase field theory for ferroelastic domain switching with an application to tetragonal zirconia
|
Pi, Z.P.
|
|
|
170 |
C |
p.
|
artikel
|
| 48 |
Nanoscale contact behavior of (1 1 1) fcc metallic surfaces
|
Khajehvand, Milad
|
|
|
170 |
C |
p.
|
artikel
|
| 49 |
Nanoscale indentation and scratching tests of single crystal sapphire using molecular dynamics simulation
|
Kim, Woo Kyun
|
|
|
170 |
C |
p.
|
artikel
|
| 50 |
Non-trivial band gaps and charge transfer in Janus-like functionalized bilayer boron arsenide
|
Ullah, Saif
|
|
|
170 |
C |
p.
|
artikel
|
| 51 |
Oil detachment by modified nanoparticles: A molecular dynamics simulation study
|
Liang, Shaoxiang
|
|
|
170 |
C |
p.
|
artikel
|
| 52 |
Oxygen adsorption on the doped TiAl(1 0 0) surface
|
Kulkova, Svetlana E.
|
|
|
170 |
C |
p.
|
artikel
|
| 53 |
Paving the way for cristobalite TiO2 and GeO2 attainable under moderate tensile stress: A DFT study of transformation paths and activation barriers in cristobalite-rutile transformations of MO2 (M = Si, Ge, Ti)
|
Haseen, Shariq
|
|
|
170 |
C |
p.
|
artikel
|
| 54 |
Phase stability of an high-entropy Al-Cr-Fe-Ni-V alloy with exceptional mechanical properties: First-principles and APT investigations
|
Liu, Xuan
|
|
|
170 |
C |
p.
|
artikel
|
| 55 |
Research on mechanism of nanoscale cutting with arc trajectory for monocrystalline silicon based on molecular dynamics simulation
|
Kang, Qiang
|
|
|
170 |
C |
p.
|
artikel
|
| 56 |
Residual stress and elastic recovery of imprinted Cu-Zr metallic glass films using molecular dynamic simulation
|
Doan, Dinh-Quan
|
|
|
170 |
C |
p.
|
artikel
|
| 57 |
Reveal the fast and charge-insensitive lattice diffusion of silver in cubic silicon carbide via first-principles calculations
|
Peng, Qing
|
|
|
170 |
C |
p.
|
artikel
|
| 58 |
Sn3O4 exfoliation process investigated by density functional theory and modern scotch-tape experiment
|
Freire, Rafael L.H.
|
|
|
170 |
C |
p.
|
artikel
|
| 59 |
Structural and electronic properties of Fe-doped silver delafossites: AgAl1−xFexO2 and AgGa1−xFexO2 (x = 1–5%)
|
Panapitiya, Gihan
|
|
|
170 |
C |
p.
|
artikel
|
| 60 |
Structural, elastic, thermal and lattice dynamic properties of new 321 MAX phases
|
Hadi, M.A.
|
|
|
170 |
C |
p.
|
artikel
|
| 61 |
The early stage of the thermal pulse explosions of aluminum nanowires under different energy deposition levels
|
Lv, Fangwei
|
|
|
170 |
C |
p.
|
artikel
|
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