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The large number of possible structures of metal-organic frameworks (MOFs) and their limitless potential applications has motivated molecular modelers and researchers to develop methods and models to efficiently assess MOF performance. Some…
Improving energy efficiency by monitoring system behavior and predicting future energy scenarios in light of increased penetration of renewable energy sources are becoming increasingly important, especially for energy systems that…
The giant single-celled slime mould Physarum polycephalum has inspired rapid develop- ments in unconventional computing substrates since the start of this century. This is primarily due to its simple component parts and the distributed…
Self-assembly, the process by which interacting components form well-defined and often intricate structures, is typically thought of as a spontaneous process arising from equilibrium dynamics. When a system is driven by external…
This paper investigates the energy harvested from the flutter of a plate in an axial flow by making use of piezoelectric materials. The equations for fully-coupled linear dynamics of the fluid-solid and electrical systems are derived. The…
There is evidence that the self-assembly of complex molecular systems often proceeds hierarchically, by first building subunits that later assemble in larger entities, in a process that can repeat multiple times. Yet, our understanding of…
Numerical modelling of several coupled passive linear dynamical systems (LDS) is considered. Since such component systems may arise from partial differential equations, transfer function descriptions, lumped systems, measurement data, etc.,…
Coordinated aggregation of a large population of thermostatically controlled loads (TCLs) presents a great potential to provide various ancillary services to the grid. One of the key challenges of integrating TCLs into system level…
We use neuroevolutionary learning to identify time-dependent protocols for low-dissipation self-assembly in a model of generic active particles with interactions. When the time allotted for assembly is sufficiently long, low-dissipation…
An efficient and flexible engine for computing fixed points is critical for many practical applications. In this paper, we firstly present a goal-directed fixed point computation strategy in the logic programming paradigm. The strategy…
A complete, self-contained mathematical framework for modelling the coupled aeroelastic and flight dynamic behaviour of free-flying flexible aircraft subject to atmospheric gust encounters is presented. The framework integrates three…
We introduce a kinetic Monte-Carlo model for self-propelled hard disks to capture with minimal ingredients the interplay between thermal fluctuations, excluded volume and self-propulsion in large assemblies of active particles. We analyze…
Polysilicon fuses are one time programmable memory elements which allow the calibration of integrated circuits at wafer and package level. We present a zero dimensional lumped parameter model of the programming of fuses made from a…
In geometrically frustrated assemblies, equilibrium self-limitation manifests in the form of a minimum in the free energy per subunit at a finite, multi-subunit size which results from the competition between the elastic costs of…
The traditional goal of inverse self-assembly is to design interactions that drive particles toward a desired target structure. However, achieving successful self-assembly also requires tuning the thermodynamic conditions under which the…
Inspired by biology and implemented using nanotechnology, the self-assembly of patchy particles has emerged as a pivotal mechanism for constructing complex structures that mimic natural systems with diverse functionalities. Here, we explore…
Numerical simulation of numerous mm/cm-sized particles embedded in a gaseous disk has become an important tool in the study of planet formation and in understanding the dust distribution in observed protoplanetary disks. However, the mutual…
We outline the construction of a molecular system that could, in principle, implement a thermodynamically reversible Universal Turing Machine (UTM). By proposing a concrete-albeit idealised-design and operational protocol, we reveal…
We use computer simulations to study a model, first proposed by Wales [1], for the reversible and monodisperse self-assembly of simple icosahedral virus capsid structures. The success and efficiency of assembly as a function of…
Developing an appropriate design process for a conceptual model is a stepping stone toward designing car bodies. This paper presents a methodology to design a lightweight and modular space frame chassis for a sedan electric car. The dual…