相关论文: Phase transformations surfaces and exact energy lo…
We have identified the ground state configurations of soft particles (interacting via inverse power potentials) confined between two hard, impenetrable walls. To this end we have used a highly reliable optimization scheme at {\it vanishing}…
Optimized topology of bi-material acoustic metamaterial lattice plates is studied for maximized locally resonant bandgap of flexural guided waves. Optimized layout of the two relatively stiff and compliant material phases in the design…
Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams,…
We demonstrate that, rather than resorting to high-cost dynamic correlation methods, qualitative failures in excited-state potential energy surface predictions can often be remedied at no additional cost by ensuring that optimal molecular…
The results of fabrication and characterization of atomic structure of nanocrystalline thin layers of Y2O3 in cubic and monoclinic phases is reported. Experimental data demonstrate crystalline ordering in nanocrystalline films with average…
We identify effective models for thin, linearly elastic and perfectly plastic plates exhibiting a microstructure resulting from the periodic alternation of two elastoplastic phases. We study here both the case in which the thickness of the…
Direct experimental characterization of indentation-induced martensitic microstructures in pseudoelastic shape memory alloys (SMAs) is not possible, and thus there is a lack of evidence and understanding regarding the microstructure pattern…
We investigate the geometry of polycrystals, showing that for polycrystals formed of convex grains the interior grains are polyhedral, while for polycrystals with general grain geometry the set of triple points is small. Then we investigate…
We present the phase diagram of magnetic states for films of isotropic chiral magnets calculated as function of applied magnetic field and thickness of the film. We have found a novel magnetic state driven by the natural confinement of the…
Applying elastic deformation can tune a material physical properties locally and reversibly. Spatially modulated lattice deformation can create a bandgap gradient, favouring photo-generated charge separation and collection in optoelectronic…
Many engineering applications of Shape Memory Alloys (SMAs) involve passing back and forth through phase transformation many times. Repeated phase transformation develops permanent deformations originating from the significant distortion…
We discuss an M-dimensional phantom elastic manifold of linear size L crushed into a small sphere of radius R << L in N-dimensional space. We investigate the low elastic energy states of 2-sheets (M=2) and 3-sheets (M=3) using analytic…
We construct fully three-dimensional (3D) equilibria with pressure anisotropy and closed, nested toroidal magnetic surfaces that are strongly asymmetric in the toroidal direction by applying a sinusoidal perturbation to the axisymmetric…
A topology optimization method is presented for the design of periodic microstructured materials with prescribed homogenized nonlinear constitutive properties over finite strain ranges. The mechanical model assumes linear elastic isotropic…
This work presents a three-dimensional constitutive model for the martensitic transformation in polycrystalline Shape Memory Alloys (SMAs) under large deformation. By utilizing the logarithmic strain and rate, the model is able to account…
When modelling discontinuities (interfaces) using the finite element method, the standard approach is to use a conforming finite-element mesh in which the mesh matches the interfaces. However, this approach can prove cumbersome if the…
Materials designed by nature commonly exhibit functional grading and laminated structures, particularly when intended for enhanced impact protection. Synthetic materials have also found success in exploiting this concept with fully dense…
We report emergent magnetic behavior in heterostructures composed of (111)-oriented La$_{0.7}$Sr$_{0.3}$MnO$_3$ (LSMO) and (00$l$)-oriented Bi$_2$Te$_3$ (BT), controlled by interfacial reconstructions. When BT is deposited directly onto…
In the majority of magnetic systems the surface is required to order at the same temperature as the bulk. In the present study, we report a distinct and unexpected surface magnetic phase transition, uniquely at a lower temperature than the…
Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, ab initio simulations can in principle predict the structure…