相关论文: Impact of micro-alloying on the plasticity of Pd-b…
Effect of small additive molecules on the structural relaxation of polymer melts is investigated via molecular dynamics simulations. At a constant external pressure and a fixed number concentration of added molecules, the variation of…
The role of plastic deformation in the high-pressure compaction of granular material is investigated using bonded particle model simulations. Grains are discretized into a set of computational particles connected by pairwise bonds. Bonds…
Additively manufactured (AM) alloys have heterogeneous microstructures with broad grain size distributions and highly anisotropic and/or non-convex grain shapes. AM components can have complex geometries and porosity which may affect the…
Adhesion control at the interface of two surfaces is crucial in many applications. Examples are the design of micro and nanodevices such as microfuidics devices, biochips, and electronic sensors. Adhesion at the interface of two materials…
A novel computational framework for designing metamaterials with negative Poisson's ratio over a large strain range is presented in this work by combining the density-based topology optimization together with a mixed stress/deformation…
We demonstrate by means of fully relativistic first principles calculations that, by substitution of Fe by Cr, Mn, Co, Ni or Cu in FePt-L10 bulk alloys, with fixed Pt content, it is possible to tune the magnetocrystalline anisotropy energy…
Effects of alloying on the electronic and magnetic properties of Mn$_{x}$Co$_{y}$ ($x+y$=$n$=2-5; $x$=0-$n$) and Mn$_2$Co$_{11}$ nanoalloy clusters are investigated using the density functional theory (DFT). Unlike the bulk alloy, the…
Bulk polycrystalline piezoelectric ceramics are extensively used in wide ranging applications as actuators, transducers, and sensors. For actuator applications, it is desirable that the piezoelectric ceramic gives as large electric field…
Superplastic behavior of ultrafine-grained (UFG) Al-6Mg-0.12Sc-0.10Zr-0.1X alloys, where X = Yb (Alloy #1-Yb), Er (Alloy #2-Er), and Hf (Alloy #3-Hf), has been studied. The total content of Sc, Zr, Yb, Er, Hf in the alloys was 0.32 wt.%…
The effect of cyclic loading on relaxation dynamics and mechanical properties of metallic glasses is studied using molecular dynamics simulations. We consider the Kob-Andersen three-dimensional binary mixture rapidly cooled across the glass…
Bulk glasses exhibit extra vibrational modes at low energies, known as the boson peak. The microscopic dynamics in nanoscale alumina impact the performance of qubits and other superconducting devices, however the existence of the boson peak…
Finite Element simulations of rubbers and biological soft tissue usually assume that the material being deformed is slightly compressible. It is shown here that in shearing deformations the corresponding normal stress distribution can…
The main result of this work is a homogenization theorem via variational convergence for elastic materials with stiff checkerboard-type heterogeneities under the assumptions of physical growth and non-self-interpenetration. While the…
The processing of binary alloys consisting of ferromagnetic Fe and antiferromagnetic Cr by severe plastic deformation (SPD) with different chemical compositions has been investigated. Although the phase diagram exhibits a large gap in the…
The pressure dependence of the bulk modulus of glassy polystyrene (PS) was measured in the relatively high-pressure regime, up to 6 GPa, at ambient temperature. For the measurements, PS microbeads were immersed in a pressure medium…
Pd nanoalloys show great potential as hysteresis-free, reliable hydrogen sensors. Here, a multi-scale modeling approach is employed to determine optimal conditions for optical hydrogen sensing using the Pd-Au-H system. Changes in hydrogen…
The microstructural stability and mechanical properties of superalloys at high temperatures are significantly influenced by the composition and nature of the solutes they contain. Most of the alloys with high solvus temperature have higher…
Being able to precisely characterize the mechanical properties of soft microparticles is essential for numerous situations from the understanding of the flow of biological fluids to the development of soft micro-robots. Here we present a…
Microscale dynamic testing is vital to the understanding of material behavior at application relevant strain rates. However, despite two decades of intense micromechanics research, the testing of microscale metals has been largely limited…
Using large-scale molecular dynamics simulations, we investigate the surface properties of lithium, sodium, and potassium silicate glasses containing 25 mole % of alkali oxide. The comparison of two types of surfaces, a melt-formed surface…