Related papers: Directional Design of Materials Based on the Multi…
Designing thermal radiation metamaterials is challenging especially for problems with high degrees of freedom and complex objective. In this letter, we have developed a hybrid materials informatics approach which combines the adversarial…
In recent years, nanoporous thin films have been widely studied for thermoelectric applications. High thermoelectric performance is reported for nanoporous Si films, which is attributed to the dramatically reduced lattice thermal…
The project aims to explore a novel way to design and produce cellular materials with good energy absorption and recoverability properties. Spinodoid structures offer an alternative to engineering structures such as honeycombs and foam with…
In this paper, we investigate the possibility of improving the performance of multi-objective optimization solution approaches using machine learning techniques. Specifically, we focus on multi-objective binary linear programs and employ…
This paper presents a computationally efficient method for the optimal design of silica aerogel porous material systems, balancing thermal insulation performance with mechanical stability under stress concentrations. The proposed approach…
In this paper, we consider multi-objective optimization problems with a sparsity constraint on the vector of variables. For this class of problems, inspired by the homonymous necessary optimality condition for sparse single-objective…
Sequential decision-making problems with multiple objectives arise naturally in practice and pose unique challenges for research in decision-theoretic planning and learning, which has largely focused on single-objective settings. This…
A very efficient method for the calculation of the effective optical response of nano-structured composite systems allows the design of metamaterials tailored for specific optical polarization properties. We use our method to design 2D…
Searching for novel two-dimensional (2D) materials is crucial for the development of the next generation technologies such as electronics, optoelectronics, electrochemistry and biomedicine. In this work, we designed a series of 2D materials…
Optical metasurfaces have been heralded as the platform to integrate multiple functionalities in a compact form-factor, potentially replacing bulky components. A central stepping stone towards realizing this promise is the demonstration of…
Thermoelectric materials, which can convert waste heat into electricity or act as solid-state Peltier coolers, are emerging as key technologies to address global energy shortages and environmental sustainability. However, discovering…
The use of topology optimization methods for the design of electric machines has become increasingly popular over the past years. Due to a desired increase in power density and a recent trend to high speed machines, thermal aspects play a…
While the forward and backward modeling of the process-structure-property chain has received a lot of attention from the materials community, fewer efforts have taken into consideration uncertainties. Those arise from a multitude of sources…
The geometric constraints of Zhou et al. (2015) are a widely used technique in topology/freeform optimization to impose minimum lengthscales for manufacturability. However, its efficacy degrades as design binarization is increased, and it…
Current systems design optimisation methodologies are one-sided, as these ignore the socio-technical integration between stakeholder preferences ('what a human wants') and the capability of technical assets ('what a system can deliver').…
Precise control of temperature fields at the micro- and nanoscale is essential for emerging applications in nanophotonics, catalysis, and microfluidics, yet remains difficult due to the diffusive nature of heat. While inverse-design…
Aiming at the promising superlensing for the medical ultrasonic and detection, the double-negative metamaterials which possess the negative mass density and elastic modulus simultaneously can be acted as the ideal superlens for breaking the…
We discuss and present search strategies for finding new thermoelectric compositions based on first principles electronic structure and transport calculations. We illustrate them by application to a search for potential n-type oxide…
A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-layer materials in C, Si, Ge, Sn, and Pb were predicted. A…
Ab initio pseudopotentials are a linchpin of modern molecular and condensed matter electronic structure calculations. In this work, we employ multi-objective optimization to maximize pseudopotential softness while maintaining high accuracy…