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Zinc alloys have emerged as promising candidates for biodegradable materials due to their remarkable biocompatibility and favorable mechanical characteristics. The incorporation of alloying elements plays an essential role in advancing the…

We study, using simulations the dynamical properties of complex ferromagnetic granular materials. The system of grains is modeled by a disordered two-dimensional lattice in which the grains are embedded, while the magnitude and direction of…

Mesoscale and Nanoscale Physics · Physics 2011-11-10 Ran Itay , Shlomo Havlin , Richard Berkovits

The development of accurate methods for determining how alloy surfaces spontaneously restructure under reactive and corrosive environments is a key, long-standing, grand challenge in materials science. Current oxidation models, such as…

Materials Science · Physics 2023-08-24 Pandu Wisesa , Meng Li , Matthew T. Curnan , Jeong Woo Han , Judith C. Yang , Wissam A. Saidi

Magneto-structural properties of films of diluted ferromagnetic alloys Ni$_x$Cu$_{1-x}$ in the concentration range $0.7 < x < 1.0$ are studied experimentally. Films deposited by magnetron sputtering show partial phase separation, as…

We summarize and to discuss briefly the geometrical practice of modeling attitudes so far popular in treating reaction kinetics of solid-state processes. The model equations existing in the literature have been explored to describe the…

Chemical Physics · Physics 2015-10-09 I. Avramov , J. Šesták

A scale bridging strategy based in molecular statics and molecular dynamics simulations in combination with transition state theory has been developed to determine the flow stress of Al-Cu alloy containing Guinier-Preston zones. The…

Materials Science · Physics 2019-09-04 G. Esteban-Manzanares , B. Bellón , E. Martínez , I. Papadimitriou , J. LLorca

Recent developments in quantum computing suggest that it could be possible to make conditional changes to the state of a quantum mechanical system without resorting to classical observation. It is accomplished through collective response of…

Quantum Physics · Physics 2007-05-23 Sarnath Ramnath , Kevin Haglin

Grain boundaries have been shown to dramatically influence the behavior of relatively simple materials such as monatomic metals and binary alloys. The increased chemical complexity associated with multi-principal element alloys is…

Accurate low dimension chemical kinetic models for methane are an essential component in the design of efficient gas turbine combustors. Kinetic models coupled to computational fluid dynamics (CFD) provide quick and efficient ways to test…

Chemical Physics · Physics 2022-06-10 Mark Kelly , Gilles Bourque , Stephen Dooley

A coarse-grained computational procedure based on the Finite Element Method is proposed to calculate the normal modes and mechanical response of proteins and their supramolecular assemblies. Motivated by the elastic network model, proteins…

Biomolecules · Quantitative Biology 2007-05-23 Mark Bathe

In a recent experiment [Trishin et al., Phys. Rev. Lett. 127, 236801 (2021)] a rich physics was observed for Fe atoms on MoS$_2$/Au(111), characterized by three different behaviors depending on the spectral density of the substrate…

Strongly Correlated Electrons · Physics 2023-07-26 G. G. Blesio , A. A. Aligia

Rational material design by elemental substitution is useful in tailoring materials to have desirable properties. Here we consider three non-equivalent substitutional series based on Co$_2$FeGe, viz; (Co$_{2-\alpha}$Mn$_\alpha$)FeGe,…

Materials Science · Physics 2025-09-26 R. Mahat , S. Budhathoki , S. Regmi , J. Y. Law , V. Franco , W. H. Butler , A. Gupta , A. Hauser , P. LeClair

In this study we formulate a theoretical approach, based on a Boltzmann-like kinetic equation, to describe pattern formation in two-dimensional mixtures of microtubular filaments and molecular motors. Following the previous work by Aranson…

Soft Condensed Matter · Physics 2018-02-28 Ivan Maryshev , Davide Marenduzzo , Andrew B. Goryachev , Alexander Morozov

Exchange couplings are fundamental to our understanding of many physical phenomena in condensed matter physics and material science. Model systems provide a controlled environment to investigate such phenomena, effectively. In this study,…

Materials Science · Physics 2024-11-26 Mahnaz Rezaei , Jahanfar Abouie , Fariba Nazari

Resistive switching devices emerged a huge amount of interest as promising candidates for non-volatile memories as well as artificial synapses due to their memristive behavior. The main physical and chemical phenomena which define their…

Materials Science · Physics 2018-08-01 Tobias Gergs , Sven Dirkmann , Thomas Mussenbrock

The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the…

Strongly Correlated Electrons · Physics 2009-11-13 S. Chadov , J. Minár , M. I. Katsnelson , H. Ebert , D. Ködderitzsch , A. I. Lichtenstein

The swept-field experiments on magnetic molecular solids such as \Fe8 are studied using Monte Carlo simulations. A kinetic equation is developed to understand the phenomenon. It is found that the simulations provide a quantitatively…

Statistical Mechanics · Physics 2015-10-14 Erik Lenferink , Avinash Vijayaraghavan , Anupam Garg

The present study investigates the partial substitutions of Mn and Cu for Fe in the TiFe-system to gain better understanding of the role of elemental substitution on its hydrogen storage properties. The TiFe0.88-xMn0.02Cux (x = 0, 0.02,…

Materials Science · Physics 2020-10-27 Erika Michela Dematteis , Fermin Cuevas , Michel Latroche

The Kondo-Heisenberg model is used for a microscopic demonstration of existence of a peculiar metallic state with unbroken translational symmetry where the Fermi surface volume is not controlled by the total electron density. I use a…

Strongly Correlated Electrons · Physics 2016-10-19 A. M. Tsvelik

In this Letter we describe a new two-mode system, which consists of Kerr-like medium and down conversion process, called the Kerr-down conversion system. Under a certain condition we can obtain an exact solution of the dynamical equations…

Quantum Physics · Physics 2015-05-28 Faisal A. A. El-Orany , M. Sebawe Abdalla , J. Perina