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We determine the speed of a crystallisation (or more generally, a solidification) front as it advances into the uniform liquid phase after the system has been quenched into the crystalline region of the phase diagram. We calculate the front…

Soft Condensed Matter · Physics 2013-03-25 A. J. Archer , M. J. Robbins , U. Thiele , E. Knobloch

The metallurgy and materials communities have long known and exploited fundamental links between chemical and structural ordering in metallic solids and their mechanical properties. The highest reported strength achievable through the…

We study low-salt, binary aqueous suspensions of charged colloidal spheres of size ratio Phi = 0.57, number densities below the eutectic number density n_E, and number fractions of p = 1.00-0.40. The typical phase obtained by solidification…

Soft Condensed Matter · Physics 2023-03-29 Nina Lorenz , Ishan Gupta , Thomas Palberg

Understanding electrochemical phenomena at complex liquid solid interfaces requires linking real time structural dynamics with atomic scale interfacial chemistry. Here, we integrate operando synchrotron X-ray fluorescence and diffraction…

The solidification and macro-segregation problem involving unsteady multi-physics and multi-phase fields is typically a complex process with mass, momentum, heat, and species transfers among solid, mushy, and liquid phase regions. The…

Fluid Dynamics · Physics 2023-03-21 Xiaoyu Feng , Huangxin Chen , Bo Yu , Shuyu Sun

Numerous experimental data on the rapid solidification of binary systems exhibit the formation of metastable solid phases with the initial (nominal) chemical composition. This fact is explained by complete solute trapping leading to…

Materials Science · Physics 2009-11-13 Peter Galenko

Thermodynamic multi-component solution solidification approach to liquid-to-glass transition is proposed and actual mechanisms underlying vitrification, other than viscous slowdown, are identified. Due to polydisperse aggregation in liquid…

Materials Science · Physics 2022-09-14 Vladimir Belostotsky

Despite of the appearance of numerous new materials, the iron based alloys and steels continue to play an essential role in modern technology. The properties of a steel are determined by its structural state (ferrite, cementite, pearlite,…

Materials Science · Physics 2017-07-17 I. K. Razumov , Yu. N. Gornostyrev , M. I. Katsnelson

Micrometre sized colloidal particles can be viewed as large atoms with tailorable size, shape and interactions. These building blocks can assemble into extremely rich structures and phases, in which the thermal motions of particles can be…

Soft Condensed Matter · Physics 2017-11-10 Bo Li , Di Zhou , Yilong Han

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

Segregation to grain boundaries affects their cohesion, corrosion and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and phase separation at grain boundaries, we derive a…

Near-field and far-field high-energy diffraction microscopy and microcomputed tomography X-ray techniques were used to study a bulk single crystal nickel-titanium shape memory alloy sample subjected to thermal cycling under a constant…

The article focuses on the effect of alloying and microstructure on formability of advanced high strength steels (AHSSs) processed via quenching and partitioning (Q&P). Three different Q&P steels with different combination of alloying…

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

Modern compound prediction methods can efficiently screen large numbers of crystal structure phases and direct the experimental search for new materials. One of the most challenging problems in alloy theory is the identification of stable…

Materials Science · Physics 2007-05-23 Aleksey N. Kolmogorov , Stefano Curtarolo

A giant Zn segregation transition is revealed using CALPHAD-integrated density-based modelling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a…

Observing solute hydrogen (H) in matter is a formidable challenge, yet, enabling quantitative imaging of H at the atomic-scale is critical to understand its deleterious influence on the mechanical strength of many metallic alloys that has…

We further develop a recently introduced phase-field model of rapid alloy solidification [Ji et al., PRL 2023]. This model utilizes enhanced solute diffusivity within the spatially diffuse interface region to quantitatively capture solute…

Materials Science · Physics 2025-08-11 Kaihua Ji , Mingwang Zhong , Alain Karma

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

Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…

Computational Engineering, Finance, and Science · Computer Science 2020-06-17 Tobias Mittnacht , Prince Gideon Kubendran Amos , Daniel Schneider , Britta Nestler