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Phase-field models of microstructural pattern formation during alloy solidification are commonly solved numerically using the finite-difference method, which is ideally suited to carry out computationally efficient simulations on massively…

Materials Science · Physics 2022-02-17 Kaihua Ji , Amirhossein Molavi Tabrizi , Alain Karma

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…

The processing of binary alloys consisting of ferromagnetic Fe and antiferromagnetic Cr by severe plastic deformation (SPD) with different chemical compositions has been investigated. Although the phase diagram exhibits a large gap in the…

Materials Science · Physics 2021-01-12 Lukas Weissitsch , Martin Stückler , Stefan Wurster , Reinhard Pippan , Andrea Bachmaier

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

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

In this work, the effect of building direction on the microstructure evolution of laser-powder bed fusion (LPBF) processed AlSi10Mg alloy was investigated. The building direction, as shown in experimentally fabricated parts, can influence…

Solute trapping is an important phenomenon in rapid solidification of alloys, for which the continuous growth model (CGM) is a popular sharp interface theory. Using matched asymptotic analysis, we show how to quantitatively map the sharp…

Materials Science · Physics 2018-09-17 Tatu Pinomaa , Nikolas Provatas

A broad range of computational models have been proposed to predict microstructure development during solidification processing but they have seldom been compared to each other on a quantitative and systematic basis. In this paper, we…

Materials Science · Physics 2022-11-08 S. M. Elahi , R. Tavakoli , I. Romero , D. Tourret

A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…

Materials Science · Physics 2020-10-21 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang , Wenhui Duan

Engineering alloys generally exhibit multi-phase microstructures. For simulating their microstructure evolution during solid-state phase transformation, CALPHAD-guided multi-phase-field models coupled with micro-mechanics have proven to be…

Materials Science · Physics 2023-01-05 Sourav Chatterjee , Daniel Schwen , Nele Moelans

Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. Recent experimental studies show that changes…

Materials Science · Physics 2023-03-15 A. Tehranchi , S. Zhang , A. Zendegani , C. Scheu , T. Hickel , J. Neugebauer

Predicting the microstructure during selective laser sintering (SLS) is of great interests, which can compliment the current time and cost expensive trial-and-error principle with an efficient computational design tool. However, it still…

Materials Science · Physics 2019-08-09 Yangyiwei Yang , Olav Ragnvaldsen , Yang Bai , Min Yi , Bai-Xiang Xu

Tailoring microstructures represents a daunting goal in materials science. Here, an innovative proposition is to utilize grain boundary (GB) complexions (a.k.a. interfacial phases) to manipulate microstructural evolution, which is…

Materials Science · Physics 2023-09-19 Qizhang Yan , Chongze Hu , Jian Luo

Microsegregation-free microstructures can form by solidifying at velocities beyond the absolute stability limit ($V_{\text{abs}}$), where solute partitioning is suppressed by a stable, planar solid-liquid interface. Producing such…

The formation of microstructures in metallic alloys during hot metal forming involves simultaneous metallurgical complex phenomena. Traditional high-fidelity numerical frameworks used on the polycrystalline scale tend to focus on…

Materials Science · Physics 2024-05-24 Nitish Chandrappa , Marc Bernacki

The ductile-to-brittle transition (DBT) in body-centred cubic systems is a central design constraint for cryogenic structures. Performing parametric studies to enhance the understanding on DBT using fully coupled thermomechanical continuum…

Materials Science · Physics 2026-03-20 P G Kubendran Amos

The accurate prediction of solid-solid structural phase transitions at finite temperature is a challenging task, since the dynamics is so slow that direct simulations of the phase transitions by first-principles (FP) methods are typically…

Materials Science · Physics 2021-05-25 Peitao Liu , Carla Verdi , Ferenc Karsai , Georg Kresse

In this paper the development of a physically consistent phase-field theory of solidification shrinkage is presented. The coarse-grained hydrodynamic equations are derived directly from the N-body Hamiltonian equations in the framework of…

Materials Science · Physics 2020-02-28 Gyula I. Toth , Wenyue Ma

A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…

Materials Science · Physics 2011-07-28 Daniel A. Cogswell , W. Craig Carter

The development of novel materials in recent years has been accelerated greatly by the use of computational modelling techniques aimed at elucidating the complex physics controlling microstructure formation in materials, the properties of…

Materials Science · Physics 2025-11-14 Damien Pinto , Michael Greenwood , Nikolas Provatas