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We performed molecular dynamics simulations of Zr$_{50}$Cu$_{50}$ metallic glass samples submitted to mechanical deformation at different strain rates. The simultaneous measurements of the stress-strain curve, and of the temperature…

Materials Science · Physics 2025-07-18 Matias Sepulveda-Macias , Gergely Molnár , Anne Tanguy

Densified silica can be obtained by different pressure and temperature paths and for different stress conditions, hydrostatic or including shear. The density is usually the macroscopic parameter used to characterize the different compressed…

The influence of thermal processing on the potential energy, atomic structure, and mechanical properties of metallic glasses is examined using molecular dynamics simulations. We study the three-dimensional binary mixture, which was first…

Soft Condensed Matter · Physics 2019-12-23 Nikolai V. Priezjev

At temperatures well below their glass transition, the deformation properties of bulk metallic glasses are characterised by a sharp transition from elasticity to plasticity, a reproducible yield stress, and an approximately linear decrease…

Soft Condensed Matter · Physics 2013-11-18 P. M. Derlet , R. Maaß

Elucidating mechanical deformation in glassy materials at the atomic level is challenging due to their disordered atomic structure. Using our novel "frozen atom analysis," we reveal that anelastic deformation in CuZr metallic glasses is…

Materials Science · Physics 2025-03-20 Yoshinori Shiihara , Takuya Iwashita , Nozomu Adachi , Yoshikazu Todaka , Takeshi Egami

Densified SiO2 glasses, obtained from different pressure and temperature routes have been annealed over a wide range of temperature far below the glass transition temperature (500$^\circ$C-900$^\circ$C). Hot and cold compressions were…

The influence of cyclic loading and glass stability on structural relaxation and yielding transition in amorphous alloys was investigated using molecular dynamics simulations. We considered a binary mixture cooled deep into the glass phase…

Soft Condensed Matter · Physics 2022-11-09 Pritam Kumar Jana , Nikolai V. Priezjev

Metallic glasses deform elastically under stress. However, the atomic-level origin of elastic properties of metallic glasses remain unclear. In this paper using {\em ab initio} molecular dynamics simulations of the Cu$_{50}$Zr$_{50}$…

Materials Science · Physics 2020-03-10 I. Lobzenko , Y. Shiihara , T. Iwashita

The effect of oscillatory shear deformation on the fatigue life, yielding transition, and flow localization in metallic glasses is investigated using molecular dynamics simulations. We study a well-annealed Cu-Zr amorphous alloy subjected…

Soft Condensed Matter · Physics 2023-09-19 Nikolai V. Priezjev

We studied a set of float glass samples prepared with different fictive temperature by previous annealing around the glass transition temperature. We compared the results to previous measurements on a series of amorphous silica samples,…

Disordered Systems and Neural Networks · Physics 2007-05-23 Claire Levelut , Rozenn Le Parc , Annelise Faivre , Bernard Champagnon

The mechanical response of amorphous silica (or silica glass) under hydrostatic compression for very high pressures up to 25 GPa is modelled via an elastic-plastic constitutive equation (continuum mechanics framework).The material…

This investigation extends earlier studies of a shear-transformation-zone (STZ) theory of plastic deformation in amorphous solids. My main purpose here is to explore the possibility that the configurational degrees of freedom of such…

Materials Science · Physics 2009-11-10 J. S. Langer

Amorphous silica (a-SiO2) exhibits unique thermo-mechanical behaviors that set it apart from other glasses. However, there is still limited understanding of how this mechanical behavior is related to the atomic structure and to the…

Predicting the failure and plasticity of solids remains a longstanding challenge, with broad implications for materials design and functional reliability. Disordered solids like metallic glasses can fail either abruptly or gradually without…

Materials Science · Physics 2025-07-08 Tero Mäkinen , Anshul D. S. Parmar , Silvia Bonfanti , Mikko Alava

Using molecular dynamics computer simulations we investigate how in silica the glass transition and the properties of the resulting glass depend on the cooling rate with which the sample is cooled. By coupling the system to a heat bath with…

Condensed Matter · Physics 2009-10-28 Katharina Vollmayr , Walter Kob , Kurt Binder

The yielding transition, structural relaxation, and mechanical properties of metallic glasses subjected to repeated loading are examined using molecular dynamics simulations. We consider a poorly-annealed Cu-Zr amorphous alloy periodically…

Soft Condensed Matter · Physics 2024-08-30 Nikolai V. Priezjev

Experimentally resolving atomic-scale structural changes of a deformed glass remains challenging owing to the disordered nature of glass structure. Here, we show that the structural anisotropy emerges as a general hallmark for different…

The shear-transformation-zone (STZ) theory of plastic deformation in glass-forming materials is reformulated in light of recent progress in understanding the roles played the effective disorder temperature and entropy flow in nonequilibrium…

Materials Science · Physics 2009-11-13 J. S. Langer

In order to point out the influence of thermal history (fictive temperature) and OH content on the elastic properties of silica glass, we have performed high resolution in situ Brillouin spectra of SiO2 glass from room temperature to the…

Materials Science · Physics 2007-05-23 R Le Parc , C Levelut , J Pelous , V. Martinez , B Champagnon

Molecular dynamics simulations are performed to examine the dynamic response of amorphous solids to oscillatory shear at finite temperatures. The data were collected from a poorly annealed binary glass, which was deformed periodically in…

Soft Condensed Matter · Physics 2017-11-21 Nikolai V. Priezjev
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