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The ability to reliably predict the structures and stabilities of a molecular crystal and its polymorphs without any prior experimental information would be an invaluable tool for a number of fields, with specific and immediate applications…

Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…

Materials Science · Physics 2025-10-01 Afonso D. M. Barroso , Elijah Borodin , Andrey P. Jivkov

In the analysis of elastic-scattering experimental data, optical-model parameters (usually, depths of real and imaginary potentials) are fitted and conclusions are drawn analyzing their variations at bombardment energies close to the…

Nuclear Experiment · Physics 2015-03-16 Daniel Abriola , A. Arazi , J. Testoni , F. Gollan , G. V. Martí

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been…

Materials Science · Physics 2024-04-03 Nicolas Bertin , Wei Cai , Sylvie Aubry , Athanasios Arsenlis , Vasily V. Bulatov

Stochastic homogeneous hyperelastic solids are characterised by strain-energy densities where the parameters are random variables defined by probability density functions. These models allow for the propagation of uncertainties from input…

Classical Physics · Physics 2019-08-13 L. Angela Mihai , Danielle Fitt , Thomas E. Woolley , Alain Goriely

Computer models are used to model complex processes in various disciplines. Often, a key source of uncertainty in the behavior of complex computer models is uncertainty due to unknown model input parameters. Statistical computer model…

Methodology · Statistics 2013-08-02 Won Chang , Murali Haran , Roman Olson , Klaus Keller

Stressed dislocation pattern formation in crystal plasticity at finite deformation is demonstrated for the first time. Size effects are also demonstrated within the same mathematical model. The model involves two extra material parameters…

Materials Science · Physics 2018-12-04 Rajat Arora , Amit Acharya

Central to the clinical adoption of patient-specific modeling strategies is demonstrating that simulation results are reliable and safe. Simulation frameworks must be robust to uncertainty in model input(s), and levels of confidence should…

The present paper proposes a novel Bayesian, computational strategy in the context of model-based inverse problems in elastostatics. On one hand we attempt to provide probabilistic estimates of the material properties and their spatial…

Computation · Statistics 2015-12-21 P. S. Koutsourelakis

Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline…

Accurate modeling of bacterial biofilm growth is essential for understanding their complex dynamics in biomedical, environmental, and industrial settings. These dynamics are shaped by a variety of environmental influences, including the…

Computational Engineering, Finance, and Science · Computer Science 2025-12-18 Lukas Fritsch , Hendrik Geisler , Jan Grashorn , Felix Klempt , Meisam Soleimani , Matteo Broggi , Philipp Junker , Michael Beer

Uncertainty quantification (UQ) plays a critical role in verifying and validating forward integrated computational materials engineering (ICME) models. Among numerous ICME models, the crystal plasticity finite element method (CPFEM) is a…

Materials Science · Physics 2023-01-27 Anh Tran , Pieterjan Robbe , Tim Wildey , David Montes de Oca Zapiain , Hojun Lim

The high energy physics unfolding problem is an important statistical inverse problem in data analysis at the Large Hadron Collider (LHC) at CERN. The goal of unfolding is to make nonparametric inferences about a particle spectrum from…

Applications · Statistics 2017-06-09 Mikael Kuusela , Philip B. Stark

We show here how density functional theory calculations can be used to predict the temperatureand orientation-dependence of the yield stress of body-centered cubic (BCC) metals in the thermallyactivated regime where plasticity is governed…

Materials Science · Physics 2021-05-10 Emmanuel Clouet , Baptiste Bienvenu , Lucile Dezerald , David Rodney

Soft, amorphous solids such as tissues, foams, and emulsions are composed of deformable particles. However, the effect of single-particle deformability on the collective behavior of soft solids is still poorly understood. We perform…

Soft Condensed Matter · Physics 2021-06-02 John D. Treado , Dong Wang , Arman Boromand , Michael P. Murrell , Mark D. Shattuck , Corey S. O'Hern

While Bayesian model selection is a useful tool to discriminate between competing cosmological models, it only gives a relative rather than an absolute measure of how good a model is. Bayesian doubt introduces an unknown benchmark model…

Cosmology and Nongalactic Astrophysics · Physics 2011-02-17 M. C. March , G. D. Starkman , R. Trotta , P. M. Vaudrevange

A geometrically nonlinear continuum mechanical theory is formulated for deformation and failure behaviors of amorphous polymers. The model seeks to capture material response over a range of loading rates, temperatures, and stress states…

Materials Science · Physics 2026-02-10 John D. Clayton

In the electronic packaging and energy storage sectors, the study of Cu6Sn5 intermetallic compound (IMC) is getting more attention. At temperatures above 186 oC, this IMC exists in a hexagonal closed packed (HCP) crystalline structure.…

Materials Science · Physics 2023-05-31 Anil Kunwar , Haoran Ma , Johan Hektor

With the advent of high-performance computing, Bayesian methods are increasingly popular tools for the quantification of uncertainty throughout science and industry. Since these methods impact the making of sometimes critical decisions in…

Statistics Theory · Mathematics 2016-05-20 Houman Owhadi , Clint Scovel , Tim Sullivan

In this paper, we address the question of how the relative weighting of the two invariants of the plastic deformation of the matrix influence the mechanical response of a porous metallic material. To this end, we first propose a new…

Materials Science · Physics 2016-05-24 Oana Cazacu , Benoit Revil-Baudard
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