Related papers: Computing optimal interfacial structure of modulat…
To facilitate rational molecular and materials design, this research proposes an integrated computational framework that combines stochastic simulation, ab initio quantum chemistry, and molecular docking. The suggested workflow allows…
We compare results of the exact field theory of phase separation in two dimensions with Monte Carlo simulations for the $q$-state Potts model with boundary conditions producing an interfacial region separating two pure phases. We confirm in…
Optical approaches for wavefront shaping traditionally rely on phase modulation through holographic techniques. Shaping the phase determines a wave's diffraction and hence its intensity distribution in space. We instead show that shaping…
We show that topological phases include disordered materials if the underlying invariant is interpreted as originating from coarse geometry. This coarse geometric framework, grounded in physical principles, offers a natural setting for the…
In this work, we report a stable ordered structure -- the cubic FDDD phase -- that has not previously been identified in the Landau-Brazovskii (LB) model, a fundamental and important model for studying crystals and their phase transitions.…
Using several numerical invariants, we study a partition of the space of line arrangements in the complex projective plane, given by the intersection lattice types. We offer also a new characterization of the free plane curves using the…
We study configuration spaces of framed points on oriented closed smooth manifolds. Such configuration spaces admit natural actions of the framed little discs operads, that play an important role in the study of embedding spaces of…
One major challenge of neuroscience is finding interesting structures in a seemingly disorganized neural activity. Often these structures have computational implications that help to understand the functional role of a particular brain…
The level-set method of topology optimization is used to design isotropic two-phase periodic multifunctional composites in three dimensions. One phase is stiff and insulating whereas the other is conductive and mechanically compliant. The…
This paper addresses problems on the structural design of control systems taking explicitly into consideration the possible application to large-scale systems. We provide an efficient and unified framework to solve the following major…
We present a deterministic framework for three-dimensional beam shaping that enables versatile control of intensity and phase, pixel-by-pixel, across multiple axial planes. Conventional multi-plane holographic techniques typically rely on…
We introduce a shell-model theory that combines traditional spherical states, which yield a diagonal representation of the usual single-particle interaction, with collective configurations that track deformations, and test the validity of…
We apply a phase field approach for a general shape optimization problem of a stationary Navier-Stokes flow. To be precise we add a multiple of the Ginzburg--Landau energy as a regularization to the objective functional and relax the…
We present a multi-phase design parameterization to obtain optimized heterogeneous lattice structures. The 3D domain is discretized into a cubical grid wherein each cube has eight distinct unit cell types or phases. When all phases are…
We explore the structure of the space of quasisymmetric configurations identifying them by their magnetic axes, described as 3D closed curves. We demonstrate that this topological perspective divides the space of all configurations into…
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…
The phase diagram of model Mott-insulator--band-insulator heterostructures is studied using the semiclassical approximation to the dynamical-mean-field method as a function of thickness, coupling constant, and charge confinement. An…
Individual components such as cells, particles, or agents within a larger system often require detailed understanding of their relative position to act accordingly, enabling the system as a whole to function in an organised and efficient…
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…
Grain boundaries (GBs) can be treated as two-dimensional (2-D) interfacial phases (also called 'complexions') that can undergo interfacial phase-like transitions. As bulk phase diagrams and calculation of phase diagram (CALPHAD) methods are…