相关论文: Experimental Evaluation of the Rheological Propert…
By means of parallel tempering Monte Carlo simulations we find strong evidence for a finite-temperature spin-glass transition in a system of diluted classical Heisenberg dipoles randomly placed on the sites of a simple cubic lattice. We…
We show numerically that a three-dimensional model for structural glass displays aging, rejuvenation and memory effects when submitted to a temperature cycle. These effects indicate that the free energy landscape of structural glasses may…
Maxwell lattice metamaterials possess a rich phase space with distinct topological states featuring mechanically polarized edge behaviors and strongly asymmetric acoustic responses. Until now, demonstrations of non-trivial topological…
The effect of tensile stress applied during cooling of binary glasses on the potential energy states and mechanical properties is investigated using molecular dynamics simulations. We study the three-dimensional binary mixture that was…
The Synchronized Molecular-Dynamics simulation which was recently proposed by authors [Phys. Rev. X {\bf 4}, 041011 (2014)] is applied to the analysis of polymer lubrication between parallel plates. The rheological properties,…
Soft glassy materials are out of thermodynamic equilibrium and show time dependent slowing down of the relaxation dynamics. Under such situation these materials follow Boltzmann superposition principle only in the effective time domain,…
Electrical switching and rectifying properties of the metal-VO2-Si structures, on both p-type and n-type silicon, with vanadium dioxide films obtained by an acetylacetonate sol-gel method, are studied. The switching effect is shown to be…
The success of the Materials Genome Initiative has led to opportunities for data-driven approaches for materials discovery. The recent development of Polymer Genome (PG), which is a machine learning (ML) based data-driven informatics…
Employing the Ginzburg-Landau phase-field theory, a new coupled dynamic thermo-mechanical 3D model has been proposed for modeling the cubic-to-tetragonal martensitic transformations in shape memory alloy (SMA) nanostructures. The…
An analysis of thermal transients from non-equilibrium ab initio molecular-dynamics simulations can be used to calculate the thermal conductivity of materials with a short phonon mean-free path. We adapt the approach-to-equilibrium…
The development of thermal energy storage materials is the most attractive strategy to harvest the solar energy and increase the energy utilization efficiency. Phase change materials (PCMs) have received much attention in this research…
The viscoelastic properties of thin polymeric films represent a central issue, especially for nanotechnological applications. In particular, it is highly relevant the dependence of viscoelasticity on the temperature. For polystyrene it is…
When a spin glass is cooled down, a memory of the cooling process is imprinted in the spin structure. This memory can be disclosed in a continuous heating measurement of the ac-susceptibility. E.g., if a continuous cooling process is…
Reversible martensitic transformations (MTs) are the origin of many fascinating phenomena, including the famous shape memory effect. In this work, we present a fully ab initio procedure to characterize MTs in alloys and to assess their…
4D printing empowers 3D printed structures made of hydrogels, liquid crystals or shape memory polymers, with reversible morphing capabilities in response to an external stimulus. To apply reversible shape-change to stiff lightweight…
Vitrimers, an important subset of dynamically crosslinked polymer networks, have many technological applications for their excellent properties, and the ability to be re-processed through plastic flow above the so-called vitrification…
In this study, the effect of alumina and modified alumina nanoparticles in a PMMA/alumina nanocomposite was investigated. To attain this goal, the glass transition behavior of poly methyl methacrylate (PMMA), PMMA/alumina and…
Amorphous materials exhibit structural heterogeneities that relax only on long timescales. Using machine learning techniques, we construct a Markov state model (MSM) for model glass formers that coarse-grains the dynamics into a…
The temperature dependence of the hydrodynamic boundary condition between a PDMS melt and two different non-attractive surfaces made of either an OTS (octadecyltrichlorosilane) self-assembled monolayer (SAM) or a grafted layer of short PDMS…
A thermodynamic framework has been developed for a class of amorphous polymers used in fused deposition modeling (FDM), in order to predict the residual stresses and the accompanying distortion of the geometry of the printed part (warping).…