Related papers: Symmetry-mode analysis for local structure investi…
This study proposes a modification to the yield condition that addresses the mathematical constraints inherent in the Directional Distortional Hardening models developed by Feigenbaum and Dafalias. The modified model resolves both the…
An approach combining the Rietveld method and pairs distribution function analysis to study crystalline materials under high pressure or temperature was early proposed by us, and in this study, it was applied to investigate de effect of…
While the problem of estimating a probability density function (pdf) from its observations is classical, the estimation under additional shape constraints is both important and challenging. We introduce an efficient, geometric approach for…
We describe the drift field in thick depleted silicon sensors as a superposition of a one-dimensional backdrop field and various three-dimensional perturbative contributions that are physically motivated. We compute trajectories for the…
We study dipole-mode and scissors-mode oscillations of a harmonically-trapped dipolar supersolid, composed of dipolar droplets arranged on a one-dimensional (1D) or a two-dimensional (2D) lattice, to establish the robustness of its…
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…
Modeling symmetry breaking is essential for understanding the fundamental changes in the behaviors and properties of physical systems, from microscopic particle interactions to macroscopic phenomena like fluid dynamics and cosmic…
We develop a general framework for studying phases of mixed states with strong and weak symmetries, including non-invertible or categorical symmetries. The central idea is to consider a purification of the mixed state density matrix, which…
The Discrete Dislocation (DD) analysis and its computional modeling have been advanced significantly over the past decade. This progress has been further magnified by the idea to couple DD with continuum mechanics analysis in association…
The molecular rearrangements of most fluids under flow and deformation do not directly follow the macroscopic strain field. In this work, we describe a phenomenological method for characterizing such non-affine deformation via the…
We study the evolution of solidification microstructures using a phase-field model computed on an adaptive, finite element grid. We discuss the details of our algorithm and show that it greatly reduces the computational cost of solving the…
We report on the crystallographic information such as lattice parameters, atomic positions, bond lengths and angles, and local crystalline distortion size and mode of single-crystal YCrO$_3$ compound by a high-resolution synchrotron X-ray…
This paper provides an accurate theoretical defect energy database for pure and Bi-containing III-V (III-V:Bi) materials and investigates efficient methods for high-throughput defect calculations based on corrections of results obtained…
The xPDFsuite software program is described. It is for processing and analyzing atomic pair distribution functions (PDF) from X-ray powder diffraction data. It provides a convenient GUI for SrXplanr and PDFgetX3, allowing the users to…
The issues related to the structure refinement of Pb(ZrxTi1-x)O3 (PZT) solid solutions are discussed. Particular attention is paid on the modelling of the co-existing phases in the vicinity of the morphotropic phase boundary (MPB), where…
An open-source data-analysis framework 2DMAT has been developed for experimental measurements of two-dimensional material structures. 2DMAT offers five analysis methods: (i) Nelder-Mead optimization, (ii) grid search, (iii) Bayesian…
For partial differential equations (PDEs) that have $n\geq2$ independent variables and a symmetry algebra of dimension at least $n-1$, an explicit algorithmic method is presented for finding all symmetry-invariant conservation laws that…
Assur graphs are a tool originally developed by mechanical engineers to decompose mechanisms for simpler analysis and synthesis. Recent work has connected these graphs to strongly directed graphs, and decompositions of the pinned rigidity…
Condensed matter compounds typically form crystals, which break the rotational and translational invariance of space but remain invariant under a discrete set of symmetry operations. Understanding the effects allowed by this symmetry…
Deep metrics have been shown effective as similarity measures in multi-modal image registration; however, the metrics are currently constructed from aligned image pairs in the training data. In this paper, we propose a strategy for learning…