Mapping materials and molecules
Conspectus The visualization of data is indispensable in scientific research, from the early
stages when human insight forms to the final step of communicating results. In …
stages when human insight forms to the final step of communicating results. In …
Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization: Bond orientational …
H Tanaka - The European Physical Journal E, 2012 - Springer
There are at least three fundamental states of matter, depending upon temperature and
pressure: gas, liquid, and solid (crystal). These states are separated by first-order phase …
pressure: gas, liquid, and solid (crystal). These states are separated by first-order phase …
Seeding approach to crystal nucleation
We present a study of homogeneous crystal nucleation from metastable fluids via the
seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones …
seeding technique for four different systems: mW water, Tosi-Fumi NaCl, Lennard-Jones …
Visualizing kinetic pathways of homogeneous nucleation in colloidal crystallization
When a system undergoes a transition from a liquid to a solid phase, it passes through
multiple intermediate structures before reaching the final state. However, our knowledge on …
multiple intermediate structures before reaching the final state. However, our knowledge on …
The statistical mechanics of dynamic pathways to self-assembly
S Whitelam, RL Jack - Annual review of physical chemistry, 2015 - annualreviews.org
This review describes some important physical characteristics of the pathways (ie,
dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly …
dynamical processes) by which molecular, nanoscale, and micrometer-scale self-assembly …
The microscopic pathway to crystallization in supercooled liquids
Despite its fundamental and technological importance, a microscopic understanding of the
crystallization process is still elusive. By computer simulations of the hard-sphere model we …
crystallization process is still elusive. By computer simulations of the hard-sphere model we …
Entropy based fingerprint for local crystalline order
PM Piaggi, M Parrinello - The Journal of chemical physics, 2017 - pubs.aip.org
We introduce a new fingerprint that allows distinguishing between liquid-like and solid-like
atomic environments. This fingerprint is based on an approximate expression for the entropy …
atomic environments. This fingerprint is based on an approximate expression for the entropy …
Unsupervised learning for local structure detection in colloidal systems
We introduce a simple, fast, and easy to implement unsupervised learning algorithm for
detecting different local environments on a single-particle level in colloidal systems. In this …
detecting different local environments on a single-particle level in colloidal systems. In this …
Crystallization kinetics of colloidal model suspensions: recent achievements and new perspectives
T Palberg - Journal of Physics: Condensed Matter, 2014 - iopscience.iop.org
Colloidal model systems allow studying crystallization kinetics under fairly ideal conditions,
with rather well-characterized pair interactions and minimized external influences. In …
with rather well-characterized pair interactions and minimized external influences. In …
[HTML][HTML] Studying rare events using forward-flux sampling: Recent breakthroughs and future outlook
S Hussain, A Haji-Akbari - The Journal of Chemical Physics, 2020 - pubs.aip.org
Rare events are processes that occur upon the emergence of unlikely fluctuations. Unlike
what their name suggests, rare events are fairly ubiquitous in nature, as the occurrence of …
what their name suggests, rare events are fairly ubiquitous in nature, as the occurrence of …