相关论文: Nudged Elastic Bands and Lightly Bound Skyrmions

We present a concrete model of a low energy effective field theory of QCD, the well-known Skyrme Model. Specifically, we will work with the BPS submodel in order to describe the binding energies of nuclei. This BPS Skyrme model is…

We present a modified version of the nudged elastic band (NEB) algorithm to find minimum energy paths con-necting two known configurations. We show that replacing the harmonic band-energy term with a discretized version of the…

Binding processes are difficult to sample with molecular-dynamics (MD) simulations. In particular, the state space exploration is often incomplete. Evaluating the molecular interaction energy on a grid circumvents this problem but is…

This work addresses the optimal control of multibody systems being actuated with control forces in order to find a dynamically feasible minimum-energy trajectory of the system. The optimal control problem and its constraints are integrated…

The minimum energy path (MEP) describes the mechanism of reaction, and the energy barrier along the path can be used to calculate the reaction rate in thermal systems. The nudged elastic band (NEB) method is one of the most commonly used…

To study a nuclear system in the Skyrme model one must first construct a space of low energy Skyrme configurations. However, there is no mathematical definition of this configuration space and there is not even consensus on its fundamental…

We consider the semiclassical rigid-body quantization of Skyrmion solutions of mass numbers B = 4, 6, 8, 10 and 12. We determine the allowed quantum states for each Skyrmion, and find that they often match the observed states of nuclei. The…

We study a generalization of the loosely bound Skyrme model which consists of the Skyrme model with a sixth-order derivative term - motivated by its fluid-like properties - and the second-order loosely bound potential - motivated by…

In this review we present a pedagogical introduction to recent, more mathematical developments in the Skyrme model. Our aim is to render these advances accessible to mainstream nuclear and particle physicists. We start with the static…

The nuclear fission process is a dramatic example of the large-amplitude collective motion in which the nucleus undergoes a series of shape changes before splitting into distinct fragments. This motion can be represented by a pathway in the…

We present candidates for the global minimum energy solitons of charge one to nine in the Skyrme model, generated using sophisticated numerical algorithms. Assuming the Skyrme model accurately represents the low energy limit of QCD, these…

Using dimensionally reduced models for the numerical simulation of thin objects is highly attractive as this reduces the computational work substantially. The case of narrow thin elastic bands is considered and a convergent finite element…

In the semi-classical approach to the Skyrme model, nuclei are approximated by quantum mechanical states on a finite-dimensional space of field configurations; in zero-mode quantization this space is generated by rotations and isorotations.…

Capturing twin nucleation in full-field crystal plasticity is a long-standing problem in materials science. The challenge resides mainly in the biased regional lattice transformation associated with twin formation in defiance of its…

The last several decades have seen significant advances in the theoretical modeling of materials within the fields of solid-state physics and materials science, but many methods commonly applied to this problem struggle to capture strong…

A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…

Molecule-optimized basis sets, based on approximate natural orbitals, are developed for accelerating the convergence of quantum calculations with strongly correlated (multi-referenced) electrons. We use a low-cost approximate solution of…

[Background] Symmetry restoration and configuration mixing in the spirit of the generator coordinate method based on energy density functionals have become widely used techniques in low-energy nuclear structure physics. Recently, it has…

Magnetic skyrmions have been the focus of intense research with promising applications in memory, logic and interconnect technology. Several schemes have been recently proposed and demonstrated to nucleate skyrmions. However, they either…

A method for adaptive model order reduction for nonsmooth discrete element simulation is developed and analysed in numerical experiments. Regions of the granular media that collectively move as rigid bodies are substituted with rigid bodies…