Grain boundary complexion transitions

PR Cantwell, T Frolov, TJ Rupert… - Annual Review of …, 2020 - annualreviews.org
Grain boundaries can undergo phase-like transitions, called complexion transitions, in
which their structure, composition, and properties change discontinuously as temperature …

A review of wetting versus adsorption, complexions, and related phenomena: the rosetta stone of wetting

WD Kaplan, D Chatain, P Wynblatt… - Journal of Materials …, 2013 - Springer
This paper reviews the fundamental concepts and the terminology of wetting. In particular, it
focuses on high temperature wetting phenomena of primary interest to materials scientists …

Observations of grain-boundary phase transformations in an elemental metal

T Meiners, T Frolov, RE Rudd, G Dehm, CH Liebscher - Nature, 2020 - nature.com
The theory of grain boundary (the interface between crystallites, GB) structure has a long
history and the concept of GBs undergoing phase transformations was proposed 50 years …

Structural phase transformations in metallic grain boundaries

T Frolov, DL Olmsted, M Asta, Y Mishin - Nature communications, 2013 - nature.com
Structural transformations at interfaces are of profound fundamental interest as complex
examples of phase transitions in low-dimensional systems. Despite decades of extensive …

Predicting phase behavior of grain boundaries with evolutionary search and machine learning

Q Zhu, A Samanta, B Li, RE Rudd, T Frolov - Nature communications, 2018 - nature.com
The study of grain boundary phase transitions is an emerging field until recently dominated
by experiments. The major bottleneck in the exploration of this phenomenon with atomistic …

Grain-boundary metastability and its statistical properties

J Han, V Vitek, DJ Srolovitz - Acta Materialia, 2016 - Elsevier
Grain-boundary (GB) structure and properties are usually analyzed in terms of ground-state
(minimum-energy) GB states. However, global equilibrium is rarely achieved in materials. In …

Dual phase patterning during a congruent grain boundary phase transition in elemental copper

L Langenohl, T Brink, R Freitas, T Frolov… - Nature …, 2022 - nature.com
The phase behavior of grain boundaries can have a strong influence on interfacial
properties. Little is known about the emergence of grain boundary phases in elemental …

Grain boundary phases in bcc metals

T Frolov, W Setyawan, RJ Kurtz, J Marian, AR Oganov… - Nanoscale, 2018 - pubs.rsc.org
We report a computational discovery of novel grain boundary structures and multiple grain
boundary phases in elemental body-centered cubic (bcc) metals represented by tungsten …

Defect phases–thermodynamics and impact on material properties

S Korte-Kerzel, T Hickel, L Huber, D Raabe… - International …, 2022 - Taylor & Francis
Two approaches in materials physics have proven immensely successful in alloy design:
First, thermodynamic and kinetic descriptions for tailoring and processing alloys to achieve a …

Coherent and semicoherent α/β interfaces in titanium: structure, thermodynamics, migration

S Wang, T Wen, J Han, DJ Srolovitz - npj Computational Materials, 2023 - nature.com
The α/β interface is central to the microstructure and mechanical properties of titanium
alloys. We investigate the structure, thermodynamics and migration of the coherent and …