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Molecular dynamics simulations are used to investigate strain localization in a model nanocrystalline metal. The atomic mechanisms of such catastrophic failure are first studied for two grain sizes of interest. Detailed analysis shows that…

Materials Science · Physics 2014-08-26 Timothy J. Rupert

We have grown single crystals of the iron-based ladder material BaFe_2S_3, which is superconductive under high pressure, adopting different conditions. By comparing the behaviors of these samples, it is found that the in situ annealing…

This study investigates the changes of magnetic ordering temperature via nano- and mesoscale structural features in an iron arsenide. Although magnetic ground states in quantum materials can be theoretically predicted from known crystal…

Stress-stress correlations in crystalline solids with long-range order can be straightforwardly derived using elasticity theory. In contrast, the `emergent elasticity' of amorphous solids, rigid materials characterized by an underlying…

Soft Condensed Matter · Physics 2025-07-04 Jimin Bai , Long-Zhou Huang , Jin Shang , Yun-Jiang Wang , Jie Zhang , Matteo Baggioli

Force-constant and positional disorder have been introduced into diamond lattice models in an attempt to mimic the vibrational properties of a realistic amorphous silicon model. Neither type of disorder is sufficient on its own to mimic the…

Disordered Systems and Neural Networks · Physics 2015-06-24 J. K. Christie , S. N. Taraskin , S. R. Elliott

We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C$_{60}$ fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate…

Condensed Matter · Physics 2009-11-07 C. Laforge , D. Passerone , A. B. Harris , Ph. Lambin , E. Tosatti

The local structure study reveals important aspects of the physical properties, because it is closely related to the electronic structure. Standard crystallographic analysis based on a space group fails to observe disorder in the crystal…

Materials Science · Physics 2019-06-26 Shin-ichi Shamoto

The critical behavior of the contact process in disordered and periodic binary 2d-lattices is investigated numerically by means of Monte Carlo simulations as well as via an analytical approximation and standard mean field theory.…

Statistical Mechanics · Physics 2009-11-13 S. V. Fallert , Y. M. Kim , C. J. Neugebauer , S. N. Taraskin

Structural cellular materials in nature, such as wood, trabecular bone, corals, and dentin combine complex biological functions with structural roles, such as skeletal support and impact protection1,2. They feature complex structural…

We study the effects of disorder in two-dimensional quantum antiferromagnets on a square lattice, within the nonlinear sigma model approach, by using of a random distribution of spin stiffnesses or zero-temperature-spin-gaps, respectively,…

Condensed Matter · Physics 2007-05-23 C. M. S. Conceicao , E. C. Marino

The world of two-dimensional crystals is of great significance for the design and study of structural and functional materials with novel properties. The world of two-dimensional crystals is of great significance for the design and study of…

Materials Science · Physics 2015-06-16 Simiso Mkhonta , Ken Elder , Zhi-Feng Huang

The forces exerted by growing crystals on the surrounding materials play a major role in many geological processes, from diagenetic replacement to rock weathering and uplifting of rocks and soils. Although crystallization is a…

Soft Condensed Matter · Physics 2020-01-08 Luca Gagliardi , Olivier Pierre-Louis

This paper presents a Monte-Carlo study of percolation in a distorted square lattice, in which, the adjacent sites are not equidistant. Starting with an undistorted lattice, the position of the lattice sites are shifted through a tunable…

Statistical Mechanics · Physics 2019-01-16 Sayantan Mitra , Dipa Saha , Ankur Sensharma

We study the conditions under which and how an imposed cluster of fixed colloidal particles at prescribed positions triggers crystal nucleation from a metastable colloidal fluid. Dynamical density functional theory of freezing and Brownian…

Soft Condensed Matter · Physics 2009-11-13 Sven van Teeffelen , Christos N. Likos , Hartmut Löwen

Disorder and homogeneity are two concepts that refer to spatial variation of the system potential. In condensed-matter systems disorder is typically divided into two types; those with local parameters varying from site to site (diagonal…

Disordered Systems and Neural Networks · Physics 2022-11-14 Z. Ovadyahu

Many systems in nature and the synthetic world involve ordered arrangements of units on two-dimensional surfaces. We review here the fundamental role payed by both the topology of the underlying surface and its detailed curvature. Topology…

Soft Condensed Matter · Physics 2009-07-31 Mark J. Bowick , Luca Giomi

Due to the lack of long-range order, it remains challenging to characterize the structure of disordered solids and understand the nature of the glass transition. Here we propose a new structural order parameter by taking into account…

Soft Condensed Matter · Physics 2024-08-26 Ding Xu , Qinyi Liao , Ning Xu

We use state-of-the-art molecular dynamics simulations to study the effects of annealed disorder on the phase separating kinetics and aging phenomena of a segregating binary fluid mixture. In the presence of disorder, we observe a dramatic…

Soft Condensed Matter · Physics 2021-12-01 Rounak Bhattacharyya , Bhaskar Sen Gupta

We use a hybrid Monte Carlo algorithm to simulate the shaking of spheres at different vibrational amplitudes, and find that spontaneous crystallisation occurs in specific dynamical regimes. Several crystallising transitions are typically…

Statistical Mechanics · Physics 2015-06-18 D. P. Shinde , Anita Mehta , G. C. Barker

The effect of increasing structural disorder on the distribution of contact forces P(f), inside three dimensional particle assemblies is systematically studied using computer simulations of model granular packings. Starting from a…

Soft Condensed Matter · Physics 2011-08-02 Leonardo E. Silbert