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A flexible treatment for gas- and aerosol-phase chemical processes has been developed for models of diverse scale, from box models up to global models. At the core of this novel framework is an "abstracted aerosol representation" that…

Computational Engineering, Finance, and Science · Computer Science 2021-11-16 Matthew L. Dawson , Christian Guzman , Jeffrey H. Curtis , Mario Acosta , Shupeng Zhu , Donald Dabdub , Andrew Conley , Matthew West , Nicole Riemer , Oriol Jorba

A multiphysics phase field model is used for the computational study of memristive thin film morphology and current-voltage hysteresis. In contrast to previous computational methods, no requirements are made on conducting filament geometry.…

Materials Science · Physics 2025-06-24 John F. Sevic , Ambroise Juston , Nobuhiko P. Kobayashi

In this paper, we propose a novel, thermodynamically consistent phase field model to simulate the deformation and breakup of a ferrodroplet that is immersed in a viscous medium and subject to an applied uniform magnetic field. Instead of…

Fluid Dynamics · Physics 2017-10-31 Feng Bai , Rui Li , Xiaofeng Yang , Xiaoming He , Cheng Wang

The phase field model can accurately simulate the evolution of microstructures with complex morphologies, and it has been widely used for cell modeling in the last two decades. However, compared to other cellular models such as the…

Biological Physics · Physics 2022-06-13 Xiangyu Kuang , Guoye Guan , Chao Tang , Lei Zhang

We present a novel computational paradigm for process design in manufacturing processes that incorporates simulation responses to optimize manufacturing process parameters in high-dimensional temporal and spatial design spaces. We developed…

Computational Engineering, Finance, and Science · Computer Science 2021-07-26 Mojtaba Mozaffar , Jian Cao

We develop a fully-coupled, fully-implicit approach for phase-field modeling of solidification in metals and alloys. Predictive simulation of solidification in pure metals and metal alloys remains a significant challenge in the field of…

Computational Engineering, Finance, and Science · Computer Science 2021-10-05 Supriyo Ghosh , Christopher K. Newman , Marianne M. Francois

The computer-assisted modeling of re-entrant production lines, and, in particular, simulation scalability, is attracting a lot of attention due to the importance of such lines in semiconductor manufacturing. Re-entrant flows lead to…

Dynamical Systems · Mathematics 2009-11-11 Y. Zou , I. G. Kevrekidis , D. Armbruster

A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and…

Materials Science · Physics 2009-11-10 Peter Galenko , David Jou

This study presents a novel approach for analyzing and establishing Large CALPHAD model (LCM) in complex alloy systems. Through the introduction of "composition space volume", a multi-dimensional metric which allows to quatitatively define…

Materials Science · Physics 2023-12-12 Zhengdi Liu , Wenwen Sun

This paper proposes a thermodynamically consistent phase-field damage model for viscoelastic materials. Suitable free-energy and pseudo-potentials of dissipation are developed to build a model leading to a stress-strain relation, under the…

Numerical Analysis · Mathematics 2022-01-12 Thaís C. da Costa Haveroth , Geovane A. Haveroth , Marco L. Bittencourt , José L. Boldrini

In this work, a phase-field model is developed for the dendritic growth with gas bubbles in the solidification of binary alloys. In this model, a total free energy for the complex gas-liquid-dendrite system is proposed through considering…

Fluid Dynamics · Physics 2024-07-03 Chengjie Zhan , Zhenhua Chai , Dongke Sun , Baochang Shi , Shaoning Geng , Ping Jiang

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

In the literature, two quite different phase-field formulations for the problem of alloy solidification can be found. In the first, the material in the diffuse interfaces is assumed to be in an intermediate state between solid and liquid,…

Materials Science · Physics 2011-11-23 Mathis Plapp

A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than…

Materials Science · Physics 2016-08-31 Alain Karma

Phase separation of two phase separating solutes in a common solvent can result in mesoscale (micron-sized) droplets with complex topologies of the domains of each solute within each droplet. Such topologies have been observed in-vitro in…

Soft Condensed Matter · Physics 2025-07-31 Amit Kumar , Gary H. Karpen , Samuel A. Safran

In the present work, the evolution of damage in periodic composite materials is investigated through a novel finite element-based multiscale computational approach. The methodology is developed by means of the original combination of…

Numerical Analysis · Mathematics 2019-08-09 Francesca Fantoni , Andrea Bacigalupo , Marco Paggi , Josè Reinoso

The multicomponent oxide solid solution is a versatile platform to tune the delicate balance between competing spin, charge, orbital, and lattice degrees of freedom for materials design and discovery. The development of compositionally…

Materials Science · Physics 2023-04-26 Jing Wu , Jiyuan Yang , Liyang Ma , Linfeng Zhang , Shi Liu

A number of experimental and theoretical findings in age hardening alloys suggest that specific solute elements preferentially segregate to and reduce the energy of the interphase boundary (IB). This segregation mechanism can stabilize the…

Materials Science · Physics 2019-10-29 Sourabh B Kadambi , Fadi Abdeljawad , Srikanth Patala

Many ferroelectric solid solutions exhibit enhanced electro-mechanical properties at the morphotropic boundary separating two phases with different orientations of polarization. The mechanism of properties enhancement is associated with…

Materials Science · Physics 2015-05-19 Dragan Damjanovic

In this paper, we investigate numerical methods for solving Nickel-based phase field system related to free energy, including the elastic energy and logarithmic type functionals. To address the challenge posed by the particular free energy…

Numerical Analysis · Mathematics 2022-09-19 Jizu Huang , Chao Yang