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The competition between crystallization and vitrification in glass-forming materials manifests as a non-monotonic behavior in the time-temperature transformation (TTT) diagrams, which quantify the time scales for crystallization as a…

Statistical Mechanics · Physics 2025-10-16 Muhammad R. Hasyim , Kranthi K. Mandadapu

The ability of some liquids to vitrify during supercooling is usually seen as a consequence of the rates of crystal nucleation (and/or crystal growth) becoming small- thus a matter of kinetics. However there is evidence, dating back to the…

Soft Condensed Matter · Physics 2011-06-09 Vitaliy Kapko , Dmitry V. Matyushov , C. Austen Angell

We study the influence of the softness of the interparticle interactions on the fragility of a glass former, by considering three model binary mixture glass formers. The interaction potential between particles is a modified Lennard-Jones…

Disordered Systems and Neural Networks · Physics 2012-06-19 Shiladitya Sengupta , Filipe Vasconcelos , Frédéric Affouard , Srikanth Sastry

While the structural dynamics of chromophores are of interest for a range of applications, it is experimentally very challenging to resolve the underlying microscopic mechanisms. Glassy dynamics are also challenging for atomistic…

Materials Science · Physics 2025-09-03 Eric Lindgren , Jan Swensson , Christian Müller , Paul Erhart

On the basis of shear modulus measurements on a Pt-based glass, we calculated temperature dependence of the defect concentration c using the Interstitialcy theory. This temperature dependence is compared with temperature dependence of the…

Disordered Systems and Neural Networks · Physics 2023-05-29 A. S. Makarov , G. V. Afonin , R. A. Konchakov , J. C. Qiao , A. N. Vasiliev , N. P. Kobelev , V. A. Khonik

The particle motion associated to the {\alpha}-relaxation in supercooled liquids is still challenging scientists due to its difficulty to be probed experimentally. By combining synchrotron techniques, we found the existence of microscopic…

The prediction of material structure from chemical composition has been a long-standing challenge in natural science. Although there have been various methodological developments and successes with computer simulations, the prediction of…

Materials Science · Physics 2018-05-23 Naoto Tsujimoto , Daiki Adachi , Ryosuke Akashi , Synge Todo , Shinji Tsuneyuki

Using molecular dynamics simulation, we examine the dynamics of crystal, polycrystal, and glass in a Lennard-Jones binary mixture composed of small and large particles in two dimensions. The crossovers occur among these states as the…

Soft Condensed Matter · Physics 2010-05-04 Hayato Shiba , Akira Onuki

A complex rare-earth rich aluminoborosilicate glass has been proved to be a good candidate for the immobilization of new high level radioactive wastes. A simplified seven-oxides composition of this glass was selected for this study. In this…

Materials Science · Physics 2009-12-09 Arnaud Quintas , Daniel Caurant , Odile Majérus , Thibault Charpentier , Jean-Luc Dussossoy

We review a model--based rather than phenomenological approach to low--temperature anomalies in glasses. Specifically, we present a solvable model inspired by spin--glass theory that exhibits both, a glassy low--temperature phase, and a…

Statistical Mechanics · Physics 2009-10-31 Reimer Kuehn , Uta Horstmann

Thin film metallic glasses undergoing devitrification can form partially crystallized or fully crystallized materials with novel structural and magnetic properties. The development of desired and tunable properties of such systems drives…

Materials Science · Physics 2022-10-20 Debarati Bhattacharya , Nidhi Tiwari , P. S. R. Krishna , Dibyendu Bhattacharyya

Enhancing the kinetic stability of glasses often necessitates deepening thermodynamic stability, which typically compromises ductility due to increased structural rigidity. Decoupling these properties remains a critical challenge for…

Materials Science · Physics 2025-12-24 Huanrong Liu , Qingan Li , Shan Zhang , Rui Su , Yunjiang Wang , Pengfei Guan

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 process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…

Soft Condensed Matter · Physics 2020-05-04 Pritam Kumar Jana , Nikolai V. Priezjev

We have used density functional theory to study the structural stability of surface alloys. Our systems consist of a single pseudomorphic layer of $M_xN_{1-x}$ on the Ru(0001) surface, where $M$ = Fe or Co, and $N$ = Pt, Au, Ag, Cd, or Pb.…

Materials Science · Physics 2009-11-13 Madhura Marathe , Mighfar Imam , Shobhana Narasimhan

The kinetics of homogenization of binary As$_x$Se$_{100-x}$ melts in the As concentration range $0\%$ $<$ $x$ $<$ $50\%$ are followed in FT-Raman profiling experiments, and show that 2 gram sized melts in the middle concentration range…

Materials Science · Physics 2015-06-18 Sriram Ravindren , K. Gunasekera , Z. Tucker , A. Diebold , P. Boolchand , M. Micoulaut

This review deals with the kinetic and thermodynamic fragility of bulk metallic glass forming liquids. The experimental methods to determine the kinetic fragility, relaxation behavior and thermodynamic functions of undercooled metallic…

Materials Science · Physics 2014-05-12 Ralf Busch , Zach Evenson , Isabella Gallino , Shuai Wei

The reactivity of amorphous aluminosilicates in alkaline environments is important to many applications, including blended Portland cements and alkali-activated materials (AAMs). Here, two physics-based compositional parameters are derived…

Materials Science · Physics 2023-01-18 Kai Gong , Claire E. White

Strong changes in bulk properties, such as modulus and viscosity, are observed near the glass transition temperature, T_{g}, of amorphous materials. For more than a century, intense efforts have been made to define a microscopic origin for…

Disordered Systems and Neural Networks · Physics 2024-04-24 Joseph B. Schlenoff , Khalil Akkaoui

Density is one of the most commonly measured or estimated materials properties, especially for glasses and melts that are of significant interest to many fields, including metallurgy, geology, materials science and sustainable cements.…

Materials Science · Physics 2022-09-07 Kai Gong , Elsa Olivetti