In this work, we present a three-dimensional ab-initio informed phase-field-dislocation
dynamics model combined with Langevin dynamics to investigate glide mechanisms of …

In this work, we study loop dynamics at room temperature across three refractory multi-
principal element alloys (RMPEAs) using a phase field dislocation dynamics simulation …

Alloying is an economically efficient strategy to improve the thermal and mechanical stability
of materials, which can also be applied to grain boundary (GB) in nanocrystalline materials …

In this work, a field representation of the conservation law of linear momentum is derived
from the atomistic, using the theory of distributions as the mathematical tool, and expressed …

This paper presents a mesoscale concurrent atomistic–continuum (CAC) simulation of crack
initiation at the atomically structured grain boundaries (GBs) in bi-crystalline BCC iron (α-Fe) …

This paper presents a novel methodology that addresses the limited predictive capability of
the existing crystal plasticity (CP) method in interfaces modeling. Our approach incorporates …

Molybdenum alloys are well-suited for high-temperature gas-cooled reactor fuel cladding
due to their excellent performance at elevated temperatures, favorable mechanical …