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The influence of strain amplitude, glass stability and thermal fluctuations on shear band formation and yielding transition is studied using molecular dynamics simulations. The model binary mixture is first gradually cooled below the glass…
The low temperature properties of glass are distinct from those of crystals due to the presence of poorly understood low-energy excitations. The tunneling model proposes that these are atoms tunneling between nearby equilibria, forming…
Experimental data on the compressive strength $\sigma_{\rm max}$ versus strain rate ${\dot \varepsilon}_{\rm eng}$ for metallic glasses undergoing uniaxial compression shows significantly different behavior for different alloys. For some…
We consider a nanomachining process of hard, abrasive particles grinding on the rough surface of a polycrystalline ferritic work piece. Using extensive large-scale molecular dynamics (MD) simulations, we show that the mode of…
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…
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…
V$_3$Si thin films are known to be superconducting with transition temperatures up to 15 K, depending on the annealing temperature and the properties of the substrate underneath. Here we investigate the film structural properties with the…
Many modern applications, including quantum computing and quantum sensing, use substrate-film interfaces. Particularly, thin films of chromium or titanium and their oxides are commonly used to bind various structures, such as resonators,…
Digital image correlation (DIC) and crystal plasticity simulation were utilised to study cold dwell behaviour in a coarse grain Ti-6Al alloy at 3 different temperatures up to 230 C. Strains extracted from large volume grains were measured…
A thermodynamic framework has been developed for a class of amorphous polymers used in fused deposition modeling (FDM), in order to predict the residual stresses and the accompanying distortion of the geometry of the printed part (warping).…
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…
Amorphous materials such as metallic, polymeric, and colloidal glasses, exhibit complex preparation-dependent mechanical response to applied shear. We perform numerical simulations to investigate the mechanical response of binary…
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…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
Four series of tensile loading-unloading tests are performed on isotactic polypropylene in the sub-yield domain of deformations at room temperature. In the first series, injection-molded specimens are used as produced, whereas in the other…
Simulations are used to examine the microscopic origins of strain hardening in polymer glasses. While traditional entropic network models can be fit to the total stress, their underlying assumptions are inconsistent with simulation results.…
The question of whether static stress in fused silica relaxes at room temperature is still under debate. Here, we report experimental data investigating stress relaxation dynamics in fused silica at room temperature and up to 2 GPa stress…
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent…
Spin glasses have competing interactions that lead to a rough energy landscape which is highly susceptible to small perturbations. These chaotic effects strongly affect numerical simulations and, as such, gaining a deeper understanding of…
High-purity glasses are used for their low optical and mechanical loss, which makes them an excellent material for oscillators in optical systems, such as inertial sensors. Complex geometries often require the assembly of multiple pieces of…