Related papers: Simulation of Phase Combinations in Shape Memory A…
In this work we illustrate our novel quantitative simulation approach for dense amorphous polymer systems, as discussed in our previous work[Kulkarni et al., A Novel Approach for Lattice Simulations of Polymer Chains in Dense Amorphous…
In the present work we introduce a novel graded-material design based on phase-field and topology optimization. The main novelty of this work comes from the introduction of an additional phase-field variable in the classical single-material…
Empirical force fields employed in molecular dynamics simulations of complex systems can be optimised to reproduce experimentally determined structural and thermodynamic properties. In contrast, experimental knowledge about the rates of…
A mixed-integer linear programming (MILP) formulation is presented for parameter estimation of the Potts model. Two algorithms are developed; the first method estimates the parameters such that the set of ground states replicate the…
We present a novel finite element analysis of inelastic structures containing Shape Memory Alloys (SMAs). Phenomenological constitutive models for SMAs lead to material nonlinearities, that require substantial computational effort to…
A three-dimensional phase-field approach to martensitic transformations that uses reaction pathways in place of a Landau potential is introduced and applied to a model of Fe3Ni. Pathway branching involves an unbounded set of variants…
We present here a model for instantaneous collisions in a solid made of shape memory alloys (SMA) by means of a predictive theory which is based on the introduction not only of macroscopic velocities and temperature, but also of microscopic…
Particle-in-cell merging algorithms aim to resample dynamically the six-dimensional phase space occupied by particles without distorting substantially the physical description of the system. Whereas various approaches have been proposed in…
Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by…
In this paper, a lattice Boltzmann model is proposed to simulate solid-liquid phase change phenomena in multiphase systems. The model couples the thermal properties of the solidification front with the dynamics of the liquid droplet…
We propose a mesh-free method to solve nonconvex energy minimization problems for martensitic phase transitions and twinning in crystals, using the deep learning approach. These problems pose multiple challenges to both analysis and…
We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…
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…
Multi-component polymer mixtures are ubiquitous in biological self-organization but are notoriously difficult to study computationally. Plagued by both slow single molecule relaxation times and slow equilibration within dense mixtures,…
A surrogate-based synthesis framework for antenna arrays is presented that incorporates mutual coupling while keeping optimization computationally efficient. The method combines a common characteristic-mode basis, a global modal coupling…
Non-thermal advanced fuel fusion trades the requirement of a large amount of recirculating tritium in the system for that of large recirculating power. Phase space engineering technologies utilizing externally injected electromagnetic…
We present a stochastic simulator for polycrystalline phase-change materials capable of spatio-temporal modelling of complex anneals. This is based on consideration of bulk and surface energies to generate rates of growth and decay of…
Understanding quantum phase transitions in physical systems is fundamental to characterize their behavior at low temperatures. Achieving this requires both accessing good approximations to the ground state and identifying order parameters…
Saturated vapor condensation on the homogeneous and heterogeneous sub-cooled wall under gravity was numerically simulated by the improved pseudo-potential phase-change multiple-relaxation-time lattice Boltzmann (LB) method. Firstly, the…
This work presents a new adaptive approach for the numerical simulation of a phase-field model for fractures in nearly incompressible solids. In order to cope with locking effects, we use a recently proposed mixed form where we have a…