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We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…

Mathematical Physics · Physics 2015-10-28 Tomas Roubicek , Giuseppe Tomassetti

A thermodynamic framework has been developed for a class of amorphous polymers used in fused deposition modeling (FDM), in order to predict the residual stresses and the accompanying distortion of the geometry of the printed part (warping).…

Classical Physics · Physics 2021-02-09 P. Sreejith , K. Kannan , K. R. Rajagopal

In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…

Materials Science · Physics 2009-11-07 A. M. Cuitino , L. Stainier , G. Wang , A. Strachan , T. Cagin , W. A. Goddard , M. Ortiz

Honeycomb-like microstructures have been shown to exhibit local elastic buckling under compression, with three possible geometric buckling modes, or pattern transformations. The individual pattern transformations, and consequently also…

Soft Condensed Matter · Physics 2020-04-14 O. Rokoš , M. M. Ameen , R. H. J. Peerlings , M. G. D. Geers

Recent advances in physics-augmented neural networks have enabled thermodynamically consistent data-driven constitutive modeling of complex inelastic materials. Most existing approaches, however, implicitly adopt a specific thermodynamic…

Materials Science · Physics 2026-05-28 Reese E. Jones , Jan N. Fuhg

In this work we employ data-driven homogenization approaches to predict the particular mechanical evolution of polycrystalline aggregates with tens of individual crystals. In these oligocrystals the differences in stress response due to…

Mesoscale and Nanoscale Physics · Physics 2019-03-27 Ari L. Frankel , Reese E. Jones , Coleman Alleman , Jeremy A. Templeton

This work presents a modeling framework to represent the thermomechanical behavior of complex materials based on micromechanical dynamics. The framework is applied to nuclear fuel rod elements composed of Zircaloy-2 cladding tubes and…

Computational Physics · Physics 2025-10-16 Fabrizio Aguzzi , Martín Armoa , Santiago M. Rabazzi , César Pairetti , Alejandro Albanesi

Understanding the coupled thermo-mechanical behaviour of compacted granular beds can benefit various industrial applications, such as pebble bed design in fusion reactors. In this study, a thermo-mechanical discrete element method based on…

Soft Condensed Matter · Physics 2021-04-02 Si Suo , Marigrazia Moscardini , Verena Becker , Yixiang Gan , Marc Kamlah

We present a simple unifying model for crystallization and melting temperatures by showing that homogeneous nucleation and phase transformations driven by thickening of pre-existing surface layers are limiting conditions of the more general…

Materials Science · Physics 2009-11-13 Sharon Cooper , Catherine Nicholson , Jian Liu

This work proposes an extension of phase change and latent heat models for the simulation of metal powder bed fusion additive manufacturing processes on the macroscale and compares different models with respect to accuracy and numerical…

Computational Engineering, Finance, and Science · Computer Science 2021-09-07 Sebastian D. Proell , Wolfgang A. Wall , Christoph Meier

The modelling of heterogeneous and architected materials poses a significant challenge, demanding advanced homogenisation techniques. However, the complexity of this task can be considerably simplified through the application of micropolar…

Soft Condensed Matter · Physics 2024-02-27 Adrianos E. F. Athanasiadis , Michal K. Budzik , Dilum Fernando , Marcelo A. Dias

There is an ever-growing need for predictive models for the elasto-viscoplastic deformation of solids. Our goal in this paper is to incorporate recently developed out-of-equilibrium statistical concepts into a thermodynamically consistent,…

Materials Science · Physics 2015-06-18 Ken Kamrin , Eran Bouchbinder

A continuum plasticity model for metals is presented from considerations of non-equilibrium thermodynamics. Of specific interest is the application of a fluctuation relation that subsumes the second law of thermodynamics en route to…

Materials Science · Physics 2016-03-31 S Roy Chowdhury , D Roy , J N Reddy

Numerous full-field numerical methods exist concerning the digital description of polycrystalline materials and the modeling of their evolution during thermomechanical treatments. However, these strategies are globally dedicated to the…

Computational Engineering, Finance, and Science · Computer Science 2022-08-22 Nitish Chandrappa , Marc Bernacki

We present a novel, generalised formulation to treat coupled structural integrity problems by combining phase field and multi-physics modelling. The approach exploits the versatility of the heat transfer equation and is therefore well…

Computational Engineering, Finance, and Science · Computer Science 2025-06-27 Y. Navidtehrani , C. Betegón , E. Martínez-Pañeda

Heat transfer simulations of the fused filament fabrication process are an important tool to predict bonding, residual stresses and strength of 3D printed parts. But in order to capture the significant thermal gradients that occur in the…

Computational Engineering, Finance, and Science · Computer Science 2023-05-08 Nathalie Ramos , Christoph Mittermeier , Josef Kiendl

The paper addresses the homogenization of a micro-model of poroelasticity coupled with thermal effects for two-constituent media and with imperfect interfacial contact.The homogenized model is obtained by means of the two-scale convergence…

Analysis of PDEs · Mathematics 2021-12-07 Abdelhamid Ainouz

Warm forming processes have been successfully applied at laboratory level to overcome some important drawbacks of the Al-Mg alloys, such as poor formability and large springback. However, the numerical simulation of these processes requires…

Materials Science · Physics 2017-04-04 Diogo Neto , Joao Martins , Patrick Cunha , Luis Alves , Marta Oliveira , Herve Laurent , Luis Menezes

Powder metallurgy hot isostatic pressing (PM-HIP) is an advanced manufacturing process that produces near net shape parts with high material utilization and uniform microstructures. Despite being used frequently to produce small-scale…

Numerical Analysis · Mathematics 2025-08-14 Subrato Sarkar , Jason R Mayeur , KPK Ajjarapu , Fred A List , Soumya Nag , Ryan R Dehoff

This paper studies the thermo-poroelasticity model. By introducing an intermediate variable, we transform the original three-field model into a four-field model. Building upon this four-field model, we present both a coupled finite element…

Numerical Analysis · Mathematics 2025-07-23 Mingchao Cai , Jingzhi Li , Ziliang Li , Qiang Liu