| nr |
titel |
auteur |
tijdschrift |
jaar |
jaarg. |
afl. |
pagina('s) |
type |
| 1 |
A Filon-like integration strategy for calculating exact exchange in periodic boundary conditions: a plane-wave DFT implementation
|
Bylaska, Eric J
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|
|
1 |
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artikel
|
| 2 |
An analysis of two classes of phase field models for void growth and coarsening in irradiated crystalline solids
|
Ahmed, K.
|
|
2018
|
|
1 |
p. 1-36
|
artikel
|
| 3 |
Annihilation and sources in continuum dislocation dynamics
|
Monavari, Mehran
|
|
2018
|
|
1 |
p. 1-30
|
artikel
|
| 4 |
A novel model of third phase inclusions on two phase boundaries
|
Prudil, Andrew A.
|
|
2017
|
|
1 |
p. 1-22
|
artikel
|
| 5 |
Assessment of four strain energy decomposition methods for phase field fracture models using quasi-static and dynamic benchmark cases
|
Zhang, Shuaifang
|
|
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|
1 |
|
artikel
|
| 6 |
Brittle to quasi-brittle transition and crack initiation precursors in crystals with structural Inhomogeneities
|
Papanikolaou, S.
|
|
2019
|
|
1 |
p. 1-23
|
artikel
|
| 7 |
Cell structure formation in a two-dimensional density-based dislocation dynamics model
|
Wu, Ronghai
|
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1 |
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artikel
|
| 8 |
Characterization of dislocation ensembles: measures and complexity
|
Hochrainer, Thomas
|
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1 |
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artikel
|
| 9 |
Constant-depth circuits for dynamic simulations of materials on quantum computers
|
Bassman Oftelie, Lindsay
|
|
|
|
1 |
|
artikel
|
| 10 |
Correction: Constant-depth circuits for dynamic simulations of materials on quantum computers
|
Bassman Oftelie, Lindsay
|
|
|
|
1 |
|
artikel
|
| 11 |
Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science
|
Bauman, Nicholas P.
|
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1 |
|
artikel
|
| 12 |
Determining Cosserat constants of 2D cellular solids from beam models
|
Liebenstein, Stefan
|
|
2017
|
|
1 |
p. 1-20
|
artikel
|
| 13 |
Diffuse-interface polycrystal plasticity: expressing grain boundaries as geometrically necessary dislocations
|
Admal, Nikhil Chandra
|
|
2017
|
|
1 |
p. 1-16
|
artikel
|
| 14 |
Erratum to: a novel model of third phase inclusions on two phase boundaries
|
Prudil, Andrew A.
|
|
2017
|
|
1 |
p. 1
|
artikel
|
| 15 |
Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling
|
Hütter, Markus
|
|
2017
|
|
1 |
p. 1-20
|
artikel
|
| 16 |
Fracture as a material sink
|
Volokh, K. Y.
|
|
2017
|
|
1 |
p. 1-9
|
artikel
|
| 17 |
From mechanism-based to data-driven approaches in materials science
|
Hiemer, Stefan
|
|
|
|
1 |
|
artikel
|
| 18 |
GD3: generalized discrete defect dynamics
|
Capolungo, Laurent
|
|
2018
|
|
1 |
p. 1-21
|
artikel
|
| 19 |
“Irregularization” of systems of conservation laws
|
Swan, Hunter
|
|
2018
|
|
1 |
p. 1-13
|
artikel
|
| 20 |
Length scales and scale-free dynamics of dislocations in dense solid solutions
|
Péterffy, Gábor
|
|
|
|
1 |
|
artikel
|
| 21 |
Machine learning-assisted high-throughput exploration of interface energy space in multi-phase-field model with CALPHAD potential
|
Attari, Vahid
|
|
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|
1 |
|
artikel
|
| 22 |
Making sense of dislocation correlations
|
Hochrainer, Thomas
|
|
|
|
1 |
|
artikel
|
| 23 |
Mechanics of moving defects in growing sheets: 3-d, small deformation theory
|
Acharya, Amit
|
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|
1 |
|
artikel
|
| 24 |
Mixed-mode growth of a multicomponent precipitate in the quasi-steady state regime
|
Naseri, Tohid
|
|
2018
|
|
1 |
p. 1-14
|
artikel
|
| 25 |
Modeling mesoscale fission gas behavior in UO2 by directly coupling the phase field method to spatially resolved cluster dynamics
|
Kim, Dong-Uk
|
|
|
|
1 |
|
artikel
|
| 26 |
Numerical simulations of noisy quantum circuits for computational chemistry
|
Wright, Jerimiah
|
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1 |
|
artikel
|
| 27 |
On the three-dimensional spatial correlations of curved dislocation systems
|
Anderson, Joseph Pierre
|
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|
1 |
|
artikel
|
| 28 |
Overdamped langevin dynamics simulations of grain boundary motion
|
Baruffi, Carolina
|
|
2019
|
|
1 |
p. 1-26
|
artikel
|
| 29 |
Parallel-GPU-accelerated adaptive mesh refinement for three-dimensional phase-field simulation of dendritic growth during solidification of binary alloy
|
Sakane, Shinji
|
|
|
|
1 |
|
artikel
|
| 30 |
Periodic plane-wave electronic structure calculations on quantum computers
|
Song, Duo
|
|
|
|
1 |
|
artikel
|
| 31 |
Phase field assisted analysis of a solidification based metal refinement process
|
Viardin, A.
|
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1 |
|
artikel
|
| 32 |
Phase field simulations of FCC to BCC phase transformation in (Al)CrFeNi medium entropy alloys
|
Zuo, X. J.
|
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1 |
|
artikel
|
| 33 |
Phase-field simulations of fission gas bubble growth and interconnection in U-(Pu)-Zr nuclear fuel
|
Aagesen, Larry K.
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1 |
|
artikel
|
| 34 |
Pinning of dislocations in disordered alloys: effects of dislocation orientation
|
Zaiser, Michael
|
|
|
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1 |
|
artikel
|
| 35 |
Portevin–Le Chatelier effect: modeling the deformation bands and stress-strain curves
|
Mäkinen, Tero
|
|
|
|
1 |
|
artikel
|
| 36 |
Probing the transition from dislocation jamming to pinning by machine learning
|
Salmenjoki, Henri
|
|
|
|
1 |
|
artikel
|
| 37 |
Prospects of quantum computing for molecular sciences
|
Liu, Hongbin
|
|
|
|
1 |
|
artikel
|
| 38 |
Quantum cluster algorithm for data classification
|
Li, Junxu
|
|
|
|
1 |
|
artikel
|
| 39 |
Relating plasticity to dislocation properties by data analysis: scaling vs. machine learning approaches
|
Hiemer, Stefan
|
|
|
|
1 |
|
artikel
|
| 40 |
Slip-free multiplication and complexity of dislocation networks in FCC metals
|
Akhondzadeh, Sh.
|
|
|
|
1 |
|
artikel
|
| 41 |
Stability and symmetry of ion-induced surface patterning
|
Matthes, Christopher S. R.
|
|
2017
|
|
1 |
p. 1-23
|
artikel
|
| 42 |
Surface stress calculations for nanoparticles and cavities in aluminum, silicon, and iron: influence of pressure and validity of the Young-Laplace equation
|
Pizzagalli, Laurent
|
|
|
|
1 |
|
artikel
|
| 43 |
Sweep-tracing algorithm: in silico slip crystallography and tension-compression asymmetry in BCC metals
|
Bertin, Nicolas
|
|
|
|
1 |
|
artikel
|
| 44 |
Symmetry breaking during defect self-organization under irradiation
|
Zhang, Yongfeng
|
|
|
|
1 |
|
artikel
|
| 45 |
The Green tensor of Mindlin’s anisotropic first strain gradient elasticity
|
Po, Giacomo
|
|
2019
|
|
1 |
p. 1-16
|
artikel
|
| 46 |
Theoretical basis for phase field modeling of polycrystalline grain growth using a spherical-Gaussian-based 5-D computational approach
|
Yeo, Lenissongui C.
|
|
|
|
1 |
|
artikel
|
| 47 |
Theoretical framework for predicting solute concentrations and solute-induced stresses in finite volumes with arbitrary elastic fields
|
Gu, Yejun
|
|
|
|
1 |
|
artikel
|
| 48 |
Thermodynamic considerations of same-metal electrodes in an asymmetric cell
|
Braga, M. H.
|
|
2019
|
|
1 |
p. 1-15
|
artikel
|
| 49 |
VQE method: a short survey and recent developments
|
Fedorov, Dmitry A.
|
|
|
|
1 |
|
artikel
|
| 50 |
Why Materials Theory?
|
El-Azab, Anter
|
|
2017
|
|
1 |
p. 1-2
|
artikel
|
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