相关论文: On Stress-Strain Responses and Young's Moduli of S…

A novel atomistic-continuum method (ACM) based on finite element method (FEM) is proposed to numerically simulate the nano-scaled Poisson's ratio and Young's modulus effect of Lithium (Li) body-centered cubic (BCC) structure. The potential…

We study two aspects of the elasticity of smectic-$A$ elastomers that make these materials genuinely and qualitatively different from conventional uniaxial rubbers. Under strain applied parallel to the layer normal, monodomain smectic-$A$…

To account for phenomenological theories and a set of invariants, stress and strain are usually decomposed into a pair of pressure and deviatoric stress and a pair of volumetric strain and deviatoric strain. However, the conventional…

We explore the pressure dependence of a set of properties of simple monohydric alcohols, namely of methanol, ethanol and 1-propanol, by using isobaric-isothermal molecular dynamics computer simulations. A recently proposed united atom,…

A simplified 3D FE model based on McCormick's model is developed to numerically predict the spatiotemporal behaviors of the PLC effect in Ti-12Mo alloy tensile tests at 350 degrees C with strain rates from the order of $10^{-4}$ s$^{-1}$ to…

Predicting material properties of 3D printed polymer products is a challenge in additive manufacturing due to the highly localized and complex manufacturing process. The microstructure of such products is fundamentally different from the…

Determining stress and strain in a component of a fusion power plant involves defining boundary conditions for the mechanical equilibrium equations, implying the availability of a full reactor model for defining those conditions. To address…

We use first-principles spin-polarized energy density method (EDM) to calculate the atomic energies in isolated $a_0[100](010)$ edge, $a_0[100](011)$ edge, $\frac{a_0}{2}[\bar1\bar11](1\bar10)$ edge and $\frac{a_0}{2}[111](1\bar10)$…

By leveraging the Variational Quantum Eigensolver (VQE), the ``quantum equation of motion" (qEOM) method established itself as a promising tool for quantum chemistry on near term quantum computers, and has been used extensively to estimate…

In this article, we use different models to compute displacements and stresses of a simply supported sandwich beam subjected to a uniform pressure. 8-node quadrilateral elements (Plane 82), multi-layered 8-node quadrilateral shell elements…

The quantification of the stiffness of tubular biological structures is often obtained, both in vivo and in vitro, as the slope of total transmural hoop stress plotted against hoop strain. Total hoop stress is typically estimated using the…

In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…

Under an externally applied load, granular packings form force chains that depend on the contact network and moduli of the grains. In this work, we investigate packings of variable modulus (VM) particles, where we can direct force chains by…

We built randomly cross-linked model PDMS networks and used Molecular Dynamics Methods to obtain stress-strain curves. Mooney-Rivlin (MR) analysis was used to estimate the shear moduli. We applied Primitive Path analysis (PPA) and its…

A high-fidelity kinetic Monte Carlo (KMC) simulation method (T. Treeratanaphitak, M. Pritzker, N. M. Abukhdeir, Electrochim. Acta 121 (2014) 407--414) using the semi-empirical multi-body embedded-atom method (EAM) potential has been…

When we elastically impose a homogeneous, affine deformation on amorphous solids, they also undergo an inhomogeneous, non-affine deformation, which can have a crucial impact on the overall elastic response. To correctly understand the…

Metal rolling is a widespread and well-studied process, and many finite-element (FE) rolling simulations can be found in the scientific literature. However, these FE simulations are typically limited in their resolution of through-thickness…

We study stress relaxation in several types of entangled monodisperse linear polymer melts by comparing the shear stress relaxation modulus, $G(t)$, with the end-to-end vector autocorrelation function, $P(t)$. The study includes three…

Large scale atomistic simulations with suitable interatomic potentials are widely employed by scientists or engineers of different areas. Quick generation of high-quality interatomic potentials is of urgent need under present circumstances,…

To directly simulate rare events using atomistic molecular dynamics is a significant challenge in computational biophysics. Well-established enhanced-sampling techniques do exist to obtain the thermodynamic functions for such systems. But…