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X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to…

Control of physical behaviors of nematic colloids and colloidal crystals has been demonstrated by tuning particle shape, topology, chirality and surface charging. However, the capability of altering physical behaviors of such soft matter…

Soft Condensed Matter · Physics 2021-01-12 Ye Yuan , Patrick Keller , Ivan I. Smalyukh

We investigate crystal nucleation in supersaturated colloid suspensions using enhanced molecular dynamics simulations augmented with machine learning techniques. The simulations reveal that crystallization in the model colloidal system…

Soft Condensed Matter · Physics 2024-04-30 Vanessa J. Meraz , Ziyue Zou , Pratyush Tiwary

We study the kinetics of the liquid-to-crystal transformation and of gel formation in colloidal suspensions of oppositely charged particles. We analyse, by means of both computer simulations and experiments, the evolution of a fluid…

Identifying local structural motifs and packing patterns of molecular solids is a challenging task for both simulation and experiment. We demonstrate two novel approaches to characterize local environments in different polymorphs of…

Materials Science · Physics 2024-04-02 Daisuke Kuroshima , Michael Kilgour , Mark E. Tuckerman , Jutta Rogal

Colloids self-assemble into various organized superstructures determined by particle interactions. There is a tremendous progress in both the scientific understanding and applications of self-assemblies of single-type identical particles.…

Soft Condensed Matter · Physics 2016-09-23 Chenhui Peng , Taras Turiv , Yubing Guo , Sergij V. Shiyanovskii , Qi-Huo Wei , Oleg D. Lavrentovich

The aim of this work is the development of scientifically based ways of influencing the process of nucleation of crystallization centres to control the cast structure and the properties of blanks at the casting stage. The possibility of…

Quantum polarization is investigated by means of a trajectory picture based on the Bohmian formulation of quantum mechanics. Relevant examples of classical-like two-mode field states are thus examined, namely Glauber and SU(2) coherent…

Quantum Physics · Physics 2015-09-02 Alfredo Luis , Angel S. Sanz

The nucleation process of polyethylene under quiescent and shear flow conditions are comparatively studied with all_atom molecular dynamical simulations. At both conditions, nucleation are demonstrated to be two_step processes, which,…

Soft Condensed Matter · Physics 2021-12-08 Xiaoliang Tang , Junsheng Yang , Fucheng Tian , Tingyu Xu , Chun Xie , Liangbin Li

Combining three numerical methods (forward flux sampling, seeding of droplets, and finite size droplets), we probe the crystallization of hard spheres over the full range from close to coexistence to the spinodal regime. We show that all…

Soft Condensed Matter · Physics 2018-08-17 David Richard , Thomas Speck

Clustering of the four-nucleon system at kinetic freezeout conditions is studied using path-integral Monte Carlo techniques. This method seeks to improve upon previous calculations which relied on approximate semiclassical methods or…

Nuclear Theory · Physics 2021-10-27 Dallas DeMartini , Edward Shuryak

Nucleation during solidification in multi-component alloys is a complex process that comprises the competition between different crystalline phases as well as chemical composition and ordering. Here, we combine transition interface sampling…

Materials Science · Physics 2020-06-24 Yanyan Liang , Grisell Díaz Leines , Ralf Drautz , Jutta Rogal

The ability to control the crystallization behaviour (including its absence) of particles, be they biomolecules such as globular proteins, inorganic colloids, nanoparticles, or metal atoms in an alloy, is of both fundamental and…

Nucleation plays a critical role in the birth of crystals and is associated with a vast array of phenomena such as protein crystallization and ice formation in clouds. Despite numerous experimental and theoretical studies, many aspects of…

Soft Condensed Matter · Physics 2021-08-18 Gabriele M. Coli , Robin van Damme , C. Patrick Royall , Marjolein Dijkstra

Using Brownian dynamics computer simulations we show that a two-dimensional suspension of self-propelled ("active") colloidal particles crystallizes at sufficiently high densities. Compared to the equilibrium freezing of passive particles…

Soft Condensed Matter · Physics 2012-06-12 Julian Bialké , Thomas Speck , Hartmut Löwen

We study the nucleation of crystalline cluster phases in the generalized exponential model with exponent n=4. Due to the finite value of this pair potential for zero separation, at high densities the system forms cluster crystals with…

Soft Condensed Matter · Physics 2016-09-01 Christian Leitold , Christoph Dellago

We present modeling approaches to explain mechanisms of control of uniformity (narrow distribution) of sizes and shapes in synthesis of nanosize crystals and micron-size colloids. We consider those situations when the nanocrystals are…

Soft Condensed Matter · Physics 2010-11-29 Vyacheslav Gorshkov , Vladimir Privman

The geometric shape, symmetry, and topology of colloidal particles often allow for controlling colloidal phase behavior and physical properties of these soft matter systems. In liquid crystalline dispersions, colloidal particles with low…

Soft Condensed Matter · Physics 2024-10-14 Ye Yuan , Ivan I. Smalyukh

Understanding how temporal order degrades in quantum systems remains a central issue in nonequilibrium physics. Here we study the melting of discrete time crystals in a periodically driven holographic system, where a distinct (discrete)…

High Energy Physics - Theory · Physics 2026-04-16 Yu-Qi Lei , Xian-Hui Ge , Yu Tian , Shao-Feng Wu

Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…

Biomolecules · Quantitative Biology 2016-08-02 Irem Altan , Patrick Charbonneau , Edward H. Snell
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