Related papers: Modeling of amorphous carbon structures with arbit…
The increasing complexity of control systems necessitates control laws that guarantee safety w.r.t. complex combinations of constraints. In this letter, we propose a framework to describe compositional safety specifications with control…
We study theoretically the equilibrium structure, as well as the response under external load, of characteristic carbon-based materials. The materials considered include diamond, amorphous carbon (a-C), ``amorphous diamond'' and…
Formation control simplifies minimizing multi-robot cost functions by encoding a cost function as a shape the robots maintain. However, by reducing complex cost functions to formations, discrepancies arise between maintaining the shape and…
Amorphous grain-boundary (GB) complexions in thermally stable nanocrystalline alloys are commonly assumed to be structurally homogeneous, yet their disordered nature makes them susceptible to local short-range ordering (SRO). The influence…
Amorphous materials are solids that lack long-range atomic order but possess complex short- and medium-range order. Unlike crystalline materials that can be described by unit cells containing few up to hundreds of atoms, amorphous materials…
This paper presents a new approach for guaranteed safety subject to input constraints (e.g., actuator limits) using a composition of multiple control barrier functions (CBFs). First, we present a method for constructing a single CBF from…
A topology optimization problem in a phase field setting is considered to obtain rigid structures, which are resilient to external forces and constructable with additive manufacturing. Hence, large deformations of overhangs due to gravity…
Disorder and defective coordination in the catalytic plane are crucial for enhancing the Hydrogen Evolution Reaction (HER) on two-dimensional catalysts. Amorphous materials are disordered, making them catalytically adaptive for many…
Establishing the structure-property relationship in amorphous materials has been a long-term grand challenge due to the lack of a unified description of the degree of disorder. In this work, we develop SPRamNet, a neural network based…
We present a new simulation scheme which allows an efficient sampling of reconfigurable supramolecular structures made of polymeric constructs functionalized by reactive binding sites. The algorithm is based on the configurational bias…
This article presents a systematic method for designing time-varying Control Barrier Functions (CBF) composed of a time-invariant component and multiple time-dependent components, leveraging structural properties of the system dynamics. The…
We use ab initio density functional calculations to study the formation and structural as well as thermal stability of cellular foam-like carbon nanostructures. These systems with a mixed $sp^2/sp^3$ bonding character may be viewed as…
Two-dimensionally extended amorphous carbon ("amorphous graphene") is a prototype system for disorder in 2D, showing a rich and complex configurational space that is yet to be fully understood. Here we explore the nature of amorphous…
We develop an optimization algorithm, using simulated annealing for the quantification of patterns in astronomical data based on techniques developed for robotic vision applications. The methodology falls in the category of cost…
We introduce a method for imposing higher-level structure on generated, polyphonic music. A Convolutional Restricted Boltzmann Machine (C-RBM) as a generative model is combined with gradient descent constraint optimisation to provide…
A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on a novel control of…
We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique…
Reconfigurable robot swarms are capable of connecting with each other to form complex structures. Current mechanical or magnetic connection mechanisms can be complicated to manufacture, consume high power, have a limited load-bearing…
Manipulating the way in which colloidal particles self-organise is a central challenge in the design of functional soft materials. Meeting this challenge requires the use of building blocks that interact with one another in a highly…
In a recent paper, J. Chem. Phys. 162, 214101 (2025), a novel approach for the rigidification of a molecular cluster was proposed, in which starting with an all-atom (AA) potential, a coarse-grained (CG) potential for the associated cluster…