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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

I have carried out numerical first principles calculations of the pressure dependence of the elastic moduli for several ordered structures in the Aluminum-Lithium system, specifically FCC Al, FCC and BCC Li, L1_2 Al_3Li, and an ordered FCC…

Condensed Matter · Physics 2009-10-22 Michael J. Mehl

Coupling between chemical fuel consumption and phase separation can lead to condensation at a nonequilibrium steady state, resulting in phase behaviors that are not described by equilibrium thermodynamics. Theoretical models of such…

Soft Condensed Matter · Physics 2025-05-23 Yongick Cho , William M. Jacobs

The temporal evolution of ordered gamma-prime(L12)-precipitates and the compositional trajectories during phase-separation of the gamma(face-centered-cubic(f.c.c.)) and gamma-prime(L12)-phases are studied in a…

The universal generalising approach for non-isothermal behaviour of different alloys has been provided together with the novel deformation modelling. Strong correlation between the model approach and experimental results is shown that…

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

Using a combination of numerical simulations and atom-probe tomography experiments, we determine the interfacial energy of Cu nanocrystals precipitated within the amorphous matrix of FINEMET (molar composition Fe72.89Si16.21B6.90Nb3Cu1).…

Materials Science · Physics 2019-01-03 Rajesh Jha , David R. Diercks , Nirupam Chakraborti , Aaron P. Stebner , Cristian V. Ciobanu

We present a comprehensive study of voids formation, nucleation and growth in a prototype model of binary alloys subjected to irradiation by using a combined approach based on phase field and rate theories. It is shown that voids formation…

Statistical Mechanics · Physics 2018-04-02 D. O. Kharchenko , V. O. Kharchenko , Y. M. Ovcharenko , O. B. Lysenko , I. A. Shuda , L. Wu , R. Pan

To model mechanically-driven phase transformations using the phase-field theory, suitable models are needed for describing the mechanical fields related to individual phase-fields in the interfacial regions. They play a crucial role in…

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Ni/Al reactive multilayers are promising materials for applications requiring controlled local energy release and superior mechanical performance. This study systematically investigates the impact of compositional variations, ranging from…

Materials Science · Physics 2026-04-14 Nensi Toncich , Fabian Schwarz , Rebecca A. Gallivan , Jemma Gillon , Ralph Spolenak

Precipitation kinetics of Al3Zr and Al3Sc in aluminum supersaturated solid solutions is studied using cluster dynamics, a mesoscopic modeling technique which describes the various stages of homogeneous precipitation by a single set of rate…

Materials Science · Physics 2016-08-16 Emmanuel Clouet , Alain Barbu , Ludovic Laé , Georges Martin

Diffusion couples Zn/CuxTiy were prepared by the melting contact method and then annealed at 663K for various times. Using scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS), we discovered 7 new systems, i.e.…

Materials Science · Physics 2017-01-09 Gong Yu , Chen Yongchong , Zhang Yanping , Cserháti Csaba , Csik Attila

FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the…

Within a phase field approach which takes the strain-induced elasticity into account, the kinetics of the coherent order-disorder transition is investigated for the specific case of $Al_3 Zr$ alloy. It is shown that a microstructure with…

Materials Science · Physics 2009-11-07 Laurent Proville , Alphonse Finel

By mapping the interactions of colloidal particles onto the problem of minimizing areas, the physics of foams can be used to understand the phase diagrams of both charged and fuzzy colloids. We extend this analogy to study the elastic…

Soft Condensed Matter · Physics 2007-05-23 W. Kung , P. Ziherl , R. D. Kamien

By analytically solving some simple models of phase-ordering kinetics, we suggest a mechanism for the onset of non-equilibrium behaviour in colloid-polymer mixtures. These mixtures can function as models of atomic systems; their physics…

Soft Condensed Matter · Physics 2016-08-31 R. M. L. Evans , W. C. K. Poon

We investigate the effect of the metallic character of solid substrates on solid-liquid interfacial thermodynamics using molecular simulations. Building on the recent development of a semi-classical Thomas-Fermi model to tune the…

Chemical Physics · Physics 2021-12-14 Laura Scalfi , Benjamin Rotenberg

Control of fluid dynamics at the micrometer scale is essential to emulsion science and materials design, which is ubiquitous in everyday life and is frequently encountered in industrial applications. Most studies on multiphase flow focus on…

Fluid Dynamics · Physics 2013-10-08 Alban Sauret , Constantinos Spandagos , Ho Cheung Shum

Due to their remarkable mechanical and chemical properties, Ti-Al based materials are attracting considerable interest in numerous fields of engineering, such as automotive, aerospace, and defense. With their low density, high strength, and…

Mesoscale and Nanoscale Physics · Physics 2023-11-09 Tianjiao Li , Chenxi Tian , Atieh Moridi , Jingjie Yeo

Lithium intercalated anatase used in Li-ion batteries has some special features: coexistence of Li-rich and Li-poor phases as well as two possible positions for Li ions in the oxygen tetrahedron. A theoretical description of the compound…

Materials Science · Physics 2009-07-06 O. V. Velychko , I. V. Stasyuk