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We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…

Materials Science · Physics 2007-05-23 J. Schiøtz , T. Vegge , F. D. Di Tolla , K. W. Jacobsen

We simulate the sintering of particle aggregates due to surface diffusion. As a method we use Kinetic Monte-Carlo simulations in which elasticity can explicitly be taken into account. Therefore it is possible to investigate the shape…

Statistical Mechanics · Physics 2007-05-23 F. Westerhoff , R. Zinetullin , D. E. Wolf

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

A numerical model able to simulate solid-state constrained sintering is presented. The model couples an existing kinetic Monte Carlo (kMC) model for free sintering with a finite element model (FEM) for calculating stresses on a…

Materials Science · Physics 2016-05-10 R. Bjørk , H. L. Frandsen , N. Pryds

The melting temperature is important for materials design because of its relationship with thermal stability, synthesis, and processing conditions. Current empirical and computational melting point estimation techniques are limited in…

High power lasers are used for a variety of manufacturing processes on time and length scales that cover many orders of magnitude and on different materials. The variety of processes achievable through laser-material interaction results…

Dynamic bonding is an essential feature of many soft materials. Molecular simulations have proven to be a powerful tool for modeling bonding kinetics and thermodynamics in these materials, providing insights into their properties that…

Soft Condensed Matter · Physics 2026-05-26 Tyla R. Holoman , B. P. Prajwal , Glen M. Hocky , Thomas M. Truskett

As a complementary tool to laboratory experiments, discrete numerical simulation, applied to granular materials, provides valuable information on the grain and contact scale microstructure, thereby enabling one to better understand the…

Classical Physics · Physics 2009-01-23 Jean-Noël Roux , François Chevoir

A thermodynamically consistent phase-field model is developed to study the non-isothermal grain coalescence during the sintering process, with a potential application to the simulation in unconventional sintering techniques, e.g. spark…

Materials Science · Physics 2018-06-08 Yangyiwei Yang , Min Yi , Bai-Xiang Xu , Long-Qing Chen

Photonic sintering (PS) offers an ultra-fast, contact-free alternative to conventional sintering and has demonstrated its potential for enhancing the sinterability of acceptor-doped barium zirconate (BZY) ceramics. However, a central…

Materials Science · Physics 2026-02-02 Junlong Ma , Yangyiwei Yang , Julian N. Ebert , Wolfgang Rheinheimer , Bai-Xiang Xu

Metal Sintering is a necessary step for Metal Injection Molded parts and binder jet such as HP's metal 3D printer. The metal sintering process introduces large deformation varying from 25 to 50% depending on the green part porosity. In this…

Machine Learning · Computer Science 2024-07-25 Rachel , Chen , Juheon Lee , Chuang Gan , Zijiang Yang , Mohammad Amin Nabian , Jun Zeng

Monte Carlo simulations are methods for simulating statistical systems. The aim is to generate a representative ensemble of configurations to access thermodynamical quantities without the need to solve the system analytically or to perform…

Statistical Mechanics · Physics 2015-06-19 Jean-Charles Walter , Gerard Barkema

The microwave sintering homogeneity of large and complex shape specimens is analyzed. A new approach enabling the fabrication of complex shapes ceramics via 3D printing and microwave sintering is presented. The use of a dental microwave…

Materials Science · Physics 2020-11-26 Charles Manière , Shirley Chan , Eugene A. Olevsky

Motivation: In a predictive modeling setting, if sufficient details of the system behavior are known, one can build and use a simulation for making predictions. When sufficient system details are not known, one typically turns to machine…

Machine Learning · Statistics 2019-08-14 Timo M. Deist , Andrew Patti , Zhaoqi Wang , David Krane , Taylor Sorenson , David Craft

Computations have helped elucidate the dynamics of Earth's mantle for several decades already. The numerical methods that underlie these simulations have greatly evolved within this time span, and today include dynamically changing and…

Computational Engineering, Finance, and Science · Computer Science 2017-05-09 Timo Heister , Juliane Dannberg , Rene Gassmöller , Wolfgang Bangerth

A discrete model for the sintering of polydisperse, inhomogeneous arrays of cylinders is presented with empirical contact force-laws, taking into account plastic deformations, cohesion, temperature dependence (melting), and long-time…

Statistical Mechanics · Physics 2007-05-23 Stefan Luding , Karsten Manetsberger , Johannes Müllers

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette

Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…

Materials Science · Physics 2014-08-26 Jason F. Panzarino , Timothy J. Rupert

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

Accurate predictions of thermo-mechanically coupled process in metals can lead to a reduction of cost and an increase of productivity in manufacturing processes such as forming. For modeling these coupled processes with the finite element…

Materials Science · Physics 2019-05-30 Jifeng Li , Ignacio Romero , Javier Segurado