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There is a high interest in accelerating multiscale models using data-driven surrogate modeling techniques. Creating a large training dataset encompassing all relevant load scenarios is essential for a good surrogate, yet the computational…

Numerical Analysis · Mathematics 2025-04-24 J. Storm , W. Sun , I. B. C. M. Rocha , F. P. van der Meer

We study two closely related, nonlinear models of a viscoplastic solid. These models capture essential features of plasticity over a wide range of strain rates and applied stresses. They exhibit inelastic strain relaxation and steady flow…

Materials Science · Physics 2009-10-31 Alexander E. Lobkovsky , J. S. Langer

Physics simulations have become fundamental tools to study myriad engineering systems. As physics simulations often involve simplifications, their outputs should be calibrated using real-world data. In this paper, we present a…

Computation · Statistics 2025-08-25 Naichen Shi , Hao Yan , Shenghan Guo , Raed Al Kontar

Fracture processes in multi-phase solids are inherently complex due to multiple competing mechanisms. Here, we investigate the elastic and fracture behaviour of two-phase solids, comprising a fragile phase and a tough phase using a…

Statistical Mechanics · Physics 2025-06-17 Subrat Senapati , Anuradha Banerjee , R Rajesh

Materials which can undergo extremely fast displacive transformations as well as very slow diffusive transformations are studied using a Ginzburg-Landau framework to understand the physics behind microstructure formation and…

Materials Science · Physics 2007-05-23 Mathieu Bouville , Rajeev Ahluwalia

We develop a finite temperature mean field theory in the path integral picture for an extremely dilute system of interacting Fermions in a plane. In the limit of short ranged interactions, the system is shown to undergo a phase transition…

Strongly Correlated Electrons · Physics 2007-05-23 A. Agarwal , S. G. Rajeev

The accurate description of the structural and thermodynamic properties of ferroelectrics has been one of the most remarkable achievements of Density Functional Theory (DFT). However, running large simulation cells with DFT is…

Materials Science · Physics 2024-06-14 Lorenzo Gigli , Alexander Goscinski , Michele Ceriotti , Gareth A. Tribello

Examining phase stabilities and phase equilibria in strongly correlated materials asks for a next level in the many-body extensions to the local-density approximation (LDA) beyond mainly spectroscopic assessments. Here we put the…

Materials Science · Physics 2013-04-26 Daniel Grieger , Christoph Piefke , Oleg E. Peil , Frank Lechermann

We perform a large-scale statistical analysis (> 2000 independent simulations) of the elongation and rupture of gold nanowires, probing the validity and scope of the recently proposed ductile-to-brittle transition that occurs with…

Mesoscale and Nanoscale Physics · Physics 2013-11-18 William R. French , Amulya K. Pervaje , Andrew P. Santos , Christopher R. Iacovella , Peter T. Cummings

A non-isothermal phase field model that captures both displacive and diffusive phase transformations in a unified framework is presented. The model is developed in a formal thermodynamic setting, which provides guidance on admissible…

Materials Science · Physics 2011-12-02 Mirko Maraldi , Garth N. Wells , Luisa Molari

Complex engineering models are typically computationally demanding and defined by a high-dimensional parameter space challenging the comprehensive exploration of parameter effects and design optimization. To overcome this curse of…

Applications · Statistics 2024-03-01 Corey Arndt , Cody Crusenberry , Bozhi Heng , Rochelle Butler , Stephanie TerMaath

Ductility quantifies a material's capacity for plastic deformation, and it is a key property for preventing fracture driven failure in engineering parts. While some brittle materials exhibit improved ductility at small scales, the processes…

Soft Condensed Matter · Physics 2023-09-04 Zainab S. Patel , Abdulaziz O. Alrashed , Kush Dwivedi , Marco Salviato , Lucas R. Meza

Microstructural pattern formation, such as dendrite growth, occurs widely in materials and energy systems, significantly influencing material properties and functional performance. While the phase-field method has emerged as a powerful…

Materials Science · Physics 2025-11-07 Kaihua Ji , Luning Sun , Shusen Liu , Fei Zhou , Tae Wook Heo

In recent yerars, Bismuth sodium titanate (BNT) and BNT-based piezoelectric materials have proved potential for lead-free piezoelectric technologies. Such materials' complicated phase structure is crucial to their thermo-electromechanical…

Materials Science · Physics 2024-10-08 Akshayveer , Federico C Buroni , Roderick Melnik , Luis Roderiguez-Tembleque , Andres Saez

Adaptive morphogenetic robots adapt their morphology and control policies to meet changing tasks and environmental conditions. Many such systems leverage soft components, which enable shape morphing but also introduce simulation and control…

The dynamic phase transitions have been studied, within a mean-field approach, in the kinetic spin-1 Ising model Hamiltonian with arbitrary bilinear and biquadratic pair interactions in the presence of a time varying (sinusoidal) magnetic…

Statistical Mechanics · Physics 2009-11-11 Mustafa Keskin , Osman Canko , Ersin Kantar

Microstructure evolution, which plays a critical role in determining materials properties, is commonly simulated by the high-fidelity but computationally expensive phase-field method. To address this, we approximate microstructure evolution…

Materials Science · Physics 2024-11-22 Saurabh Tiwari , Prathamesh Satpute , Supriyo Ghosh

Molecular dynamics simulations have been performed to understand the influence of temperature on the tensile deformation and fracture behavior of $<$111$>$ BCC Fe nanowires. The simulations have been carried out at different temperatures in…

Materials Science · Physics 2017-10-09 G. Sainath , B. K. Choudhary

A field theory is presented for predicting damage and fracture in quasi-brittle materials. The approach taken here is new and blends a non-local constitutive law with a two-point phase field. In this formulation, the material displacement…

Materials Science · Physics 2025-10-07 Semsi Coskun , Davood Damircheli , Robert Lipton

In neural network surrogate solvers for electromagnetic simulations, accurately modeling resonant phenomena remains a central challenge. High-amplitude resonances generate strongly localized field patterns that deviate significantly from…

Optics · Physics 2026-05-19 Sunghyun Nam , Chan Y. Park , Min Seok Jang