相关论文: Navigating the Complex Compositional Landscape of …

Additive-free electroformed copper has emerged as the material of choice in exceptionally radiopure detectors for rare-event searches, based on its radiopurity, physical properties, and affordability. However, copper is ductile and of…

This work analyzes different notions of entropy and its production in $ep$ and heavy-ion collisions, focusing on the early stages of the collision. To this end, the importance of phenomena such as quantum entanglement and decoherence in…

High-throughput methods enable accelerated discovery of novel materials in complex systems such as high-entropy alloys, which exhibit intricate phase stability across vast compositional spaces. Computational approaches, including Density…

High-entropy alloys (HEAs) are known for superb combination of performance attributes, making them ideal for advanced applications, e.g., nuclear engineering. The concept of cobalt-free HEAs aims to mitigate concerns about cobalt's…

The need for improved functionalities is driving the search for more complicated multi-component materials. Despite the factorially increasing composition space, ordered compounds with 4 or more species are rare. Here, we unveil the…

The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…

The amount of electronic waste (e-waste) recycled worldwide is less than 20% of the total amount produced. In a world where the need for critical and strategic metals is increasing almost exponentially, it is unacceptable that tons of these…

This review examined the current advancements in data-driven methods for analyzing flow and transport in porous media, which has various applications in energy, chemical engineering, environmental science, and beyond. Although there has…

Configurational entropy is an important factor in the free energy change of many macromolecular recognition and binding processes, and has been intensively studied. Despite great progresses that have been made, the global sampling remains…

The discovery and optimization of phase-change and shape memory alloys remain a tedious and expensive process. Here a simple computational method is proposed to determine the ideal phase-change material for a given alloy composed of three…

Entropy estimation is of practical importance in information theory and statistical science. Many existing entropy estimators suffer from fast growing estimation bias with respect to dimensionality, rendering them unsuitable for…

Development of process-structure-property relationships in materials science is an important and challenging frontier which promises improved materials and reduced time and cost in production. Refractory high entropy alloys (RHEAs) are a…

Low-temperature alloys are important for a wide spectrum of modern technologies ranging from liquid hydrogen, and superconductivity to quantum technology. These applications push the limit of material performance into extreme coldness,…

High-entropy alloys (HEAs) exhibit exceptional catalytic performance due to their complex surface structures. However, the vast number of active binding sites in HEAs, as opposed to conventional alloys, presents a significant computational…

High entropy alloys are finding significant scientific interest due to their exotic microstructures and exceptional properties resulting thereof. These alloys have excellent corrosion resistance and may find broad range of applications from…

Proposing new materials by atom substitution based on periodic table similarity is a conventional strategy of searching for materials with desired property. We introduce a machine learning frame work that promotes this paradigm to be…

The utilization of statistical methods an their applications within the new field of study known as Topological Data Analysis has has tremendous potential for broadening our exploration and understanding of complex, high-dimensional data…

Refractory high-entropy alloys are under consideration for applications where materials are subjected to high temperatures and levels of radiation, such as in the fusion power sector. However, at present, their scope is limited because they…

The advent of plant phenomics, coupled with the wealth of genotypic data generated by next-generation sequencing technologies, provides exciting new resources for investigations into and improvement of complex traits. However, these new…

The traditional design and development of metallic alloys has taken a hill-climbing approach to date, with incremental advances. Throughout the last century, aluminium (Al) alloy design has been essentially empirical and iterative, based on…