相关论文: Computing optimal interfacial structure of ordered…

Recent developments in the field of computational modeling of fracture have opened up possibilities for designing structures against failure. A special case, called interfacial fracture or delamination, can occur in loaded composite…

We studied quantum phase transitions in the antiferromagnetic dimerized spin-1/2 XY chain andvtwo-leg ladders. From analysis of several spin models we present our main result: the framework to deal with topological orders and hidden…

In this paper, we propose a parallel optimization method for electronic structure calculations based on a single orbital-updating approximation. It is shown by our numerical experiments that the method is efficient and reliable for atomic…

We describe a random matrix approach that can provide generic and readily soluble mean-field descriptions of the phase diagram for a variety of systems ranging from QCD to high-T_c materials. Instead of working from specific models, phase…

We develop a system-theoretic framework for the structured analysis of distributed optimization algorithms with decomposable cost functions. We model such algorithms as a network of interacting dynamical systems and derive tests for…

Many chemical and biological experiments involve multiple treatment factors and often it is convenient to fit a nonlinear model in these factors. This nonlinear model can be mechanistic, empirical or a hybrid of the two. Motivated by…

We propose a scheme for global optimization with first-principles energy expressions (GOFEE) of atomistic structure. While unfolding its search, the method actively learns a surrogate model of the potential energy landscape on which it…

A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…

In this paper, we show how to incorporate cubic and hexagonal anisotropies in interfacial energies in phase field models; this incorporation is achieved by including upto sixth rank tensor terms in the free energy expansion, assuming that…

There have been some major advances in the theory of optimal designs for interference models. However, the majority of them focus on one-dimensional layout of the block and the study for two-dimensional interference model is quite limited…

In this paper we present a balanced phase field model for active surfaces. This work is devoted to the generalization of the Balanced Phase Field Model for Active Contours devised to eliminate the often undesirable curvature-dependent…

We look at the influence of external fields on systems described by generic free energy functional of the order parameter. The external force may have arbitrary spatial dependence, and the order parameter coupling may be nonlinear. The…

We propose here a framework to model real-time components consisting of concurrent real-time tasks running on a single processor, using parametric timed automata. Our framework is generic and modular, so as to be easily adapted to different…

In this chapter we show that chordal structure can be used to devise efficient optimization methods for many common model predictive control problems. The chordal structure is used both for computing search directions efficiently as well as…

A unified framework to derive optimized compact schemes for a uniform grid is presented. The optimal scheme coefficients are determined analytically by solving an optimization problem to minimize the spectral error subject to equality…

In this paper, we consider the optimal control of material micro-structures. Such material micro-structures are modeled by the so-called phase field model. We study the underlying physical structure of the model and propose a data based…

Phase field modelling offers an extremely general framework to predict microstructural evolutions in complex systems. However, its computational implementation requires a discretisation scheme with a grid spacing small enough to preserve…

Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…

Modeling has been created for a Space-to-Surface system defined for an optimal trajectory for targeting in terminal phase with avoids an intercepting process. The modeling includes models for simulation atmosphere, speed of sound,…

Building on nonintrinsic Landau theory, we introduce continuum free-energy computing as a new computing paradigm in which problem instances are encoded in programmable free-energy functionals and solved by intrinsic relaxational dynamics.…