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The elastic properties of paramagnetic cubic B1 (c-) Cr1-xAlxN ternary alloys are studied using stress-strain and energy-strain methods within the framework of Density Functional Theory (DFT). A strong compositional dependence of the…

Materials Science · Physics 2014-07-10 Liangcai Zhou , David Holec , Paul H. Mayrhofer

First-principles studies of two-dimensional transition metal dichalcogenides have contributed considerably to the understanding of their dielectric, optical, elastic, and vibrational properties. The majority of works to date focus on a…

We present a theoretical study of wetting phenomena and interactions between liquid-vapor interfaces based on the density functional theory. The focus is mostly on the impact of long-range van der Waals interactions both within the fluid…

Chemical Physics · Physics 2011-11-10 Arik Yochelis , Len M. Pismen

Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of…

Materials Science · Physics 2024-08-28 Santosh Chhetri , Maryam Naghibolhosseini , Mohsen Zayernouri

First-principle calculations with different exchange-correlation functionals, including LDA, PBE and vdW-DF functional in form of optB88-vdW, have been performed to investigate the electronic and elastic properties of two dimensional…

Materials Science · Physics 2015-08-31 Fan Zeng , Wei-Bing Zhang , Bi-Yu Tang

Van der Waals torque determines the relative rotational motion between anisotropic objects, being of relevance to low-dimensional systems. Here we demonstrate a substantial torque between anisotropic two-dimensional materials that arises…

Computational Physics · Physics 2024-12-17 Zepu Kou , Yuquan Zhou , Zonghuiyi Jiang , Alexandre Tkatchenko , Xiaofei Liu

We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB…

Mesoscale and Nanoscale Physics · Physics 2016-07-27 Y. Mogulkoc , M. Modarresi , A. Mogulkoc , Y. O. Ciftci

We study the viscoelasticity of surface polymer monolayers by measuring the dynamics of thermal concentration fluctuations with surface light scattering. For various systems of proteins and synthetic polymers we find a semi-dilute regime in…

Soft Condensed Matter · Physics 2009-11-10 Pietro Cicuta , Ian Hopkinson

The study of van der Waals (vdW) materials has seen increased interest in recent years, due to the wide range of uses for these materials because of their unique mechanical, electronic, and optical properties. This area has recently…

Mesoscale and Nanoscale Physics · Physics 2023-11-02 Sivakumar Vishnuvardhan Mambakkam , Stephanie Law

Nanoporous materials are characterized by their complex porous morphology illustrated by the presence of a solid network and voids. The fraction of these voids is characterized by the porosity of the structure, which influences the bulk…

Materials Science · Physics 2024-10-08 Rajesh Chandrasekaran , Mikhail Itskov , Ameya Rege

Understanding the properties of two-dimensional materials interfaces with the substrate is necessary for device applications. Surface acoustic wave propagation through the layered material flake on a substrate could provide unique…

Materials Science · Physics 2025-11-11 N. Yu. Frolov , A. Yu. Klokov , A. I. Sharkov , M. V. Pugachev , A. Yu. Kuntsevich

The choice of elastic energies for thin plates and shells is an unsettled issue with consequences for much recent modeling of soft matter. Through consideration of simple deformations of a thin body in the plane, we demonstrate that four…

Soft Condensed Matter · Physics 2019-06-04 H. G. Wood , J. A. Hanna

The formation of periodic wrinkles in soft layered materials due to mechanical instabilities is prevalent in nature and has been proposed for use in multiple applications. However, such phenomena have been explored predominantly in…

In this paper, we take an in-depth look at the analytical structure of the material transfer functions which govern acoustic and elastic response. These include wavenumber ($\kappa$) in such media and refractive index ($n$), density…

Classical Physics · Physics 2021-11-02 Hossein Khodavirdi , Ankit Srivastava

In conventional ferroelectric materials, polarization is an intrinsic property limited by bulk crystallographic structure and symmetry. Recently, it has been demonstrated that polar order can also be accessed using inherently non-polar van…

Surface elasticity is central to understanding the mechanics and stability of surfaces and interfaces. It is characterized by quantities such as surface tension, residual surface stress, and surface stiffness, however their analytical…

Materials Science · Physics 2025-12-03 Saaketh Desai , Prasad P. Iyer , Remi Dingreville

The packing behavior of powders is significantly influenced by various types of inter-particle attractive forces, including adhesion and non-bonded van der Waals forces [1, 2, 3, 4, 5, 6]. Alongside particle size and shape distributions,…

Solid interfaces have intrinsic elasticity. However, in most experiments, this is obscured by bulk stresses. Through microscopic observations of the contact-line geometry of a partially wetting droplet on an anisotropically stretched…

Soft Condensed Matter · Physics 2017-11-29 Qin Xu , Robert W. Style , Eric R. Dufresne

The modeling of conformations and dynamics of (bio)polymers is of primary importance for understanding physicochemical properties of soft matter. Although short-range interactions such as covalent and hydrogen bonding control the local…

Soft Condensed Matter · Physics 2022-08-24 Mario Galante , Alexandre Tkatchenko

We study the collective behaviour of a close packed monolayer of non-Brownian particles at a fluid-liquid interface. Such a particle raft forms a two-dimensional elastic solid and can support anisotropic stresses and strains, e.g. it…

Soft Condensed Matter · Physics 2007-05-23 Dominic Vella , Pascale Aussillous , L. Mahadevan