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This work presents a Euler-Bernoulli beam finite element (FE) model to study the interlayer interaction mechanics of graphene nanoribbon (GNR) over a graphene substrate. The FE model is calibrated using molecular dynamics (MD) simulations…

计算物理 · 物理学 2025-09-11 Gourav Yadav , Aningi Mokhalingam , Roger A. Sauer , Shakti S. Gupta

A 10 wt.% nickel-steel has been developed for high pressures and low-temperature applications, due to its high strength, excellent toughness, and low ductile-to-brittle transition temperature (DBTT). Under dynamic loading conditions this…

材料科学 · 物理学 2020-10-21 Sung-Il Baik , Ratnesh K. Gupta , K. Sharvan Kumar , David N Seidman

Ferroelectric materials exhibit a switchable, spontaneous polarization at the unit cell level--an attractive property utilized in many emerging technologies including, among others, high-density memory storage, low-power transistors, and…

材料科学 · 物理学 2026-01-15 Claire Griesbach , Tizian Scharsach , Morgan Trassin , Dennis M. Kochmann

A crystalline solid exhibits thermally induced localised {\em non-affine} droplets in the absence of external stress. Here we show that upon an imposed shear, the size of these droplets grow until they percolate at a critical strain, well…

材料科学 · 物理学 2015-02-24 Tamoghna Das , Saswati Ganguly , Surajit Sengupta , Madan Rao

Strain presents a straightforward tool to tune electronic properties of atomically thin nanomaterials that are highly sensitive to lattice deformations. While the influence of strain on the electronic band structure has been intensively…

介观与纳米尺度物理 · 物理学 2017-07-26 Maja Feierabend , Alexandre Morlet , Gunnar Berghäuser , Ermin Malic

The ability to artificially grow in a controllable manner at nanoscale, from modern deposition techniques, complex structural configurations made with metallic, polar and semiconductors materials raises today the issue of the "best"…

Plastic yielding in solids strongly depends on various conditions, such as temperature and loading rate and indeed, sample-dependent knowledge of yield points in structural materials promotes reliability in mechanical behavior. Commonly,…

材料科学 · 物理学 2021-08-11 Stefanos Papanikolaou , Mikko J. Alava

Monolayer transition metal dichalcogenides (TMDs) are known to be highly sensitive to externally applied tensile or compressive strain. In particular, strain can be exploited as a tool to control the optical response of TMDs. However, the…

介观与纳米尺度物理 · 物理学 2019-03-19 Zahra Khatibi , Maja Feierabend , Malte Selig , Samuel Brem , Christopher Linderälv , Paul Erhart , Ermin Malic

Strain-mediated thin film multiferroics comprising piezoelectric/ferromagnetic heterostructures enable the electrical manipulation of magnetization with much greater efficiency than other methods; however, the investigation of…

介观与纳米尺度物理 · 物理学 2016-10-05 Ian Gilbert , Andres C. Chavez , Daniel T. Pierce , John Unguris , Wei-Yang Sun , Cheng-Yen Liang , Gregory P. Carman

Electrical triggering of a metal-insulator transition (MIT) often results in the formation of characteristic spatial patterns such as a metallic filament percolating through an insulating matrix or an insulating barrier splitting a…

Changes in strain can be used to modify electronic and magnetic properties in crystal structures, to manipulate nanoparticles and cells, or to control chemical reactions. The magneto-elastic (ME) effect--the change of magnetic properties…

In this paper, we present a comprehensive analysis of the contact mechanics associated with a micron-sized sliding asperity, which plays a crucial role in the abrasive wear processes. Utilising nanoscratch testing, we experimentally…

材料科学 · 物理学 2024-11-26 Anna Kareer , Eralp Demir , Edmund Tarleton , Christopher Hardie

The stress-strain relations and the yield behavior of model glass (a 80:20 binary Lennard-Jones mixture) is studied by means of MD simulations. First, a thorough analysis of the static yield stress is presented via simulations under imposed…

软凝聚态物质 · 物理学 2009-11-10 F. Varnik , L. Bocquet , J. -L. Barrat

Despite the fast development of computational materials modelling, theoretical description of macroscopic elastic properties of textured polycrystalline aggregates starting from basic principles remains a challenging task. In this…

Corrosion is a major concern for many industries, as corrosive environments can induce structural and morphological changes that lead to material dissolution and accelerate material failure. The progression of corrosion depends on nanoscale…

Tribological properties of materials play an important role in engineering applications. Up to now, a number of experimental studies have identified correlations between tribological parameters and the mechanical response. Using molecular…

计算物理 · 物理学 2019-08-30 Karina E. Avila , Stefan Küchemann , Iyad Alabd Alhafez , Herbert M. Urbassek

Room and high temperature mechanical properties of reactive magnetron sputtered TaSiN coatings were measured using nanoindentation (between 25C and 500C). Fracture toughness was also evaluated at a similar temperature range using the…

Many classes of two-dimensional (2D) materials have emerged as potential platforms for novel electronic and optical devices. However, the physical properties are strongly influenced by nanoscale heterogeneities in the form of edges, grain…

Quasi-two-dimensional (quasi-2D) materials hold promise for future electronics because of their unique band structures that result in electronic and mechanical properties sensitive to crystal strains in all three dimensions. Quantifying…

Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the…

超导电性 · 物理学 2017-09-07 Daniel Guterding , Harald O. Jeschke , Roser Valenti