Related papers: Mesoscale Model for Predicting Hydrogen Damage in …
Hydrogen (H) content modifies the creep response of Fe-based alloys by altering thermodynamics of point-defects; here we identify the electronic-structure mechanism underlying this effect. Using spin-polarized first-principles calculations…
In the current work considering the wave model of the crystal growth control, an influence of heterogeneity of the medium on the forming martensite crystal s profile was examined. The considering of the heterogeneity is provided with the…
The confinement of liquid crystals inside curved geometries leads to exotic structures, with applications ranging from bio-sensors to optical switches and privacy windows. Here we study how curvature affects the alignment of a cholesteric…
We present a new theoretical and numerical phase field-based formulation for predicting hydrogen-assisted fatigue. The coupled deformation-diffusion-damage model presented enables predicting fatigue crack nucleation and growth for arbitrary…
Selective laser melting is receiving increasing interest as an additive manufacturing technique. Residual stresses induced by the large temperature gradients and inhomogeneous cooling process can favour the generation of cracks. In this…
Finite element analysis of stress about a blunt crack tip, emphasizing finite strain and phenomenological and mechanism-based strain gradient plasticity (SGP) formulations, is integrated with electrochemical assessment of occluded-crack tip…
Using ab-initio density functional theory we study the role of interstitial hydrogen on the energetics of the phase transformation of iron from bcc to hcp along Bain's pathway. The impurity creates an internal stress field that can be…
This work presents an open source, dislocation density based crystal plasticity modeling framework, $\rho$-CP. A Kocks-type thermally activated flow is used for accounting for the temperature and strain rate effects on the crystallographic…
In the electronic packaging and energy storage sectors, the study of Cu6Sn5 intermetallic compound (IMC) is getting more attention. At temperatures above 186 oC, this IMC exists in a hexagonal closed packed (HCP) crystalline structure.…
An experimental methodology is developed to evaluate size effects in nanovoids deformation under macroscopic uniaxial stress loading conditions. Quantitative evaluation of voids deformation as a function of voids size shows both a…
We measure the local contact forces at both the top and bottom boundaries of three-dimensional face-centered-cubic and hexagonal-close-packed granular crystals in response to an external force applied to a small area at the top surface.…
We investigate the effect of hydrogen on the mobility of a screw dislocation in body-centered cubic (bcc) iron using first-principles calculations, and show that an increase of screw dislocation velocity is expected for a limited…
Within the framework of the local-equilibrium approach, the equilibrium and nonequilibrium properties relevant to the hydrodynamics of the perfect hard-sphere crystal are obtained with molecular dynamics simulations using the Helfand…
Hydrogen as a fuel can be stored safely with high volumetric density in metals. It can, however, also be detrimental to metals causing embrittlement. Understanding fundamental behavior of hydrogen at atomic scale is key to improve the…
A comparison is made between the nonlinear rheological response of bulk metallic glass formers and of colloidal dispersions. Stress-strain curves measured after switch-on of constant deformation rates are analyzed quantitatively using a…
Molecular dynamics simulations are performed to investigate the structural phase transition in body-centered cubic (bcc) single crystal iron under high strain rate loading. We study the nucleation and growth of the hexagonal-close-packed…
Hydrogen is a promising candidate for the light element in terrestrial planetary cores. Its incorporation into iron causes significant volume expansion, leading to a substantial density deficit. Although extensive studies have been…
The nonequilibrium dynamics of diffusion-mediated plasticity and creep in materials subjected to constant load at high homologous temperatures is studied atomistically using Phase Field Crystal (PFC) methods. Creep stress and grain size…
We show that the mechanical effect of light on the orientational ordering of the crystalline axis of a mesophase can be used to control the dynamics of the optical response of liquid crystal infiltrated photonic structures. The…
Modeling hydrogen diffusion and its absorption in traps is a fundamental first step towards the understanding and prediction of hydrogen embrittlement. In this study, a multiscale approach which includes DFT simulations, OkMC, and…