Coarse-grained modeling of crystals by the amplitude expansion of the phase-field crystal model: an overview

M Salvalaglio, KR Elder - Modelling and Simulation in Materials …, 2022 - iopscience.iop.org
Comprehensive investigations of crystalline systems often require methods bridging
atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are …

Cluster evolution mechanisms during aging in Al–Mg–Si alloys

V Fallah, B Langelier, N Ofori-Opoku, B Raeisinia… - Acta Materialia, 2016 - Elsevier
Abstract Using Atom Probe Tomography (APT) and Phase Field Crystal (PFC) modelling, the
early-stage precipitation phenomenon is investigated for naturally-and artificially-aged Al …

Nitrogen-doped MoS2 as a catalytic sulfur host for lithium-sulfur batteries

J Cho, S Ryu, YJ Gong, S Pyo, H Yun, H Kim… - Chemical Engineering …, 2022 - Elsevier
Lithium-sulfur batteries (LSBs) are the leading candidates for the next-generation lithium-ion
batteries because of their large energy densities and low price. However, LSBs have a …

Frank-Read source operation in six body-centered cubic refractory metals

S Xu, Y Su, LTW Smith, IJ Beyerlein - Journal of the Mechanics and Physics …, 2020 - Elsevier
Abstract The Frank-Read (FR) source is a well-known intragranular dislocation source that
plays an important role in size-dependent dislocation multiplication in metallic crystals. In …

State of the art of fuel micro-mechanical modelling: From atomic scale to engineering laws in fuel performance codes

B Michel, M Welland, N Ofori-Opoku… - Journal of Nuclear …, 2022 - Elsevier
This paper presents the state-of-the-art knowledge about the micro-mechanical modelling of
the fuel behavior under irradiation with normal and off normal operating conditions …

Two modes of grain boundary pinning by coherent precipitates

N Wang, Y Ji, Y Wang, Y Wen, LQ Chen - Acta Materialia, 2017 - Elsevier
We propose a two-mechanism theory to estimate the pinning effect of coherent precipitates
on grain-boundary (GB) migration in grain growth, taking into account the important effect of …

Convergence analysis for second‐order accurate schemes for the periodic nonlocal Allen‐Cahn and Cahn‐Hilliard equations

Z Guan, J Lowengrub, C Wang - Mathematical Methods in the …, 2017 - Wiley Online Library
In this paper, we provide a detailed convergence analysis for fully discrete second‐order (in
both time and space) numerical schemes for nonlocal Allen‐Cahn and nonlocal Cahn …

Phase field crystal simulation of grain boundary motion, grain rotation and dislocation reactions in a BCC bicrystal

A Yamanaka, K McReynolds, PW Voorhees - Acta Materialia, 2017 - Elsevier
We investigate grain boundary motion and grain rotation in a body-centered cubic bicrystal
composed of a spherical grain embedded in a single crystal matrix by three-dimensional …

Structural phase field crystal approach for modeling graphene and other two-dimensional structures

M Seymour, N Provatas - Physical Review B, 2016 - APS
This paper introduces a new structural phase field crystal (PFC) type model that expands the
PFC methodology to a wider class of structurally complex crystal structures than previously …

An analysis of key characteristics of the Frank-Read source process in FCC metals

S Xu, L **ong, Y Chen, DL McDowell - … of the Mechanics and Physics of …, 2016 - Elsevier
A well-known intragranular dislocation source, the Frank-Read (FR) source plays an
important role in size-dependent dislocation multiplication in crystalline materials. Despite a …