相关论文: Looking for Design in Materials Design

This chapter discusses a general design approach to planning computer experiments, which seeks design points that fill a bounded design region as uniformly as possible. Such designs are broadly referred to as space-filling designs.

Experimental science is enabled by the combination of synthesis, imaging, and functional characterization. Synthesis of a new material is typically followed by a set of characterization methods aiming to provide feedback for optimization or…

A physical system is determined by a finite set of initial conditions and "laws" represented by equations. The system is computable if we can solve the equations in all instances using a "finite body of mathematical knowledge". In this…

Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials with thickness ranging from a few nanometers to a single atomic layer present unprecedented opportunities to investigate new phases of matter constrained to the two-dimensional plane.Particle-particle Coulomb interaction is…

Computation, the use of a computer to solve, simulate, or visualize a physical problem, has revolutionized how physics research is done. Computation is used widely to model systems, to simulate experiments, and to analyze data. Yet, in most…

It is shown that physical fields are formed by physical structures, which in their properties are differential-geometrical structures. These results have been obtained due to using the mathematical apparatus of skew-symmetric differential…

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Inspiration plays an important role in design, yet its specific impact on data visualization design practice remains underexplored. This study investigates how professional visualization designers perceive and use inspiration in their…

The present level of development of molecular force field methods is assessed from the point of view of simulation-based engineering, outlining the immediate perspective for further development and highlighting the newly emerging discipline…

In computational design and fabrication, neural networks are becoming important surrogates for bulky forward simulations. A long-standing, intertwined question is that of inverse design: how to compute a design that satisfies a desired…

In the present study we attempt to incorporate the philosophical dialogue about physical reality into the instructional process of quantum mechanics. Taking into account that both scientific realism and constructivism represent, on the…

Incorporating accurate physics-based simulation into interactive design tools is challenging. However, adding the physics accurately becomes crucial to several emerging technologies. For example, in virtual/augmented reality (VR/AR) videos,…

Quantum mechanics is more than the derivation of straightforward theorems about vector spaces, Hilbert spaces and functional analysis. In order to be applicable to experiment and technology, those theorems need interpretation and meaning.…

I discuss some of the main interpretations given to explain the indeterministic nature of quantum measurements and show that all has some loopholes in one corner or another. I propose an alternative interpretation based on the notion of…

The primary resource for quantum computation is Hilbert-space dimension. Whereas Hilbert space itself is an abstract construction, the number of dimensions available to a system is a physical quantity that requires physical resources.…

Although it has contributed to remarkable improvements in some specific areas, attempts to develop a universal design theory are generally characterized by failure. This paper sketches arguments for a new approach to engineering design…

Machine learning (ML)-accelerated discovery requires large amounts of high-fidelity data to reveal predictive structure-property relationships. For many properties of interest in materials discovery, the challenging nature and high cost of…

At the beginning, programming was inspired by the search of the best solutions. At that time some fundamental stones like famous languages and object oriented and structured programming were laid. It was found later that applications could…

A new methodological approach for the study of topology for shapes made of arrangements of lines, planes or solids is presented. Topologies for shapes are traditionally built on the classical theory of point-sets. In this paper, topologies…