Frontiers in the simulation of dislocations

N Bertin, RB Sills, W Cai - Annual Review of Materials Research, 2020 - annualreviews.org
Dislocations play a vital role in the mechanical behavior of crystalline materials during
deformation. To capture dislocation phenomena across all relevant scales, a multiscale …

Roadmap on multiscale materials modeling

E Van Der Giessen, PA Schultz, N Bertin… - … and Simulation in …, 2020 - iopscience.iop.org
Modeling and simulation is transforming modern materials science, becoming an important
tool for the discovery of new materials and material phenomena, for gaining insight into the …

Coupling in situ experiments and modeling–Opportunities for data fusion, machine learning, and discovery of emergent behavior

MD Sangid - Current Opinion in Solid State and Materials Science, 2020 - Elsevier
This paper reviews recent studies, that not only includes both experiments and modeling
components, but celebrates a close coupling between these techniques, in order to provide …

Peak broadening anisotropy and the contrast factor in metal alloys

TH Simm - Crystals, 2018 - mdpi.com
Diffraction peak profile analysis (DPPA) is a valuable method to understand the
microstructure and defects present in a crystalline material. Peak broadening anisotropy …

Connecting discrete and continuum dislocation mechanics: A non-singular spectral framework

N Bertin - International Journal of Plasticity, 2019 - Elsevier
We present an improved framework of the spectral-based Discrete Dislocation Dynamics
(DDD) approach introduced in (Bertin et al., 2015; Bertin and Capolungo, 2018), that …

Virtual diffraction analysis of dislocations and dislocation networks in discrete dislocation dynamics simulations

D Bamney, A Tallman, L Capolungo… - Computational Materials …, 2020 - Elsevier
This work proposes a data-analytics-based method to correlate diffraction peak broadening
to dislocation density in relaxed dislocation networks. The model relies on two key …

Analysing discrete dislocation data using alignment and curvature tensors

B Weger, S Gupta, T Hochrainer - Comptes …, 2021 - comptes-rendus.academie-sciences …
Analysis of large scale discrete dislocation data requires the characterisation of complex
dislocation networks by suitable average quantities. In the current work, we suggest …

A Virtual Diffractometer For Creating Synthetic HEDM Images of Tessellated and Meshed Finite Element Polycrystals

PR Dawson, MP Miller - arXiv preprint arXiv:2303.17702, 2023 - arxiv.org
To assist in the planning of in situ loading, HEDM experiments by generating synthetic
diffraction images of virtual samples in loaded and unloaded states. The user designates a …

A boundary integration method for calculating diffraction intensity of crystalline materials with planar deformation

G Ran, K Wang, G Jiang - Materials Today Communications, 2024 - Elsevier
Defects and strain states in crystals can be investigated using X-ray and neutron diffraction,
two types of penetrating, non-destructive detection techniques. Various approximations are …

Determination of the dislocation-based mechanism (s) responsible for the anomalous ductility of a class of B2 intermetallic alloys

SR Agnew, T Ungar - IOP Conference Series: Materials Science …, 2019 - iopscience.iop.org
A class of stoichiometric, ordered MR alloys (where M denotes a metal and R either a rare
earth or group IV refractory metal) with B2 (CsCl) crystal structure, were discovered to …