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Following demands for materials with peculiar transport properties, e.g. in magnetoelectronics or thermoelectrics, there is a need for materials modeling at the quantum-mechanical level. We combine density-functional with various…

Materials Science · Physics 2010-11-02 Peter Kratzer , Vladimir M. Fomin , B. Hülsen , M. Scheffler

Nanostructuring has spurred a revival in the field of direct thermoelectric energy conversion. Nanograined materials can now be synthesized with higher figures of merit (ZT) than the bulk counterparts. This leads to increased conversion…

Materials Science · Physics 2024-01-25 Jesús Carrete , Natalio Mingo , Shidong Wang , Stefano Curtarolo

The half-Heusler compound has drawn attention in a variety of fields as a candidate material for thermoelectric energy conversion and spintronics technology. This is because it has various electronic structures, such as semi-metals,…

The true power of computational research typically can lay in either what it accomplishes or what it enables others to accomplish. In this work, both avenues are simultaneously embraced across several distinct efforts existing at three…

Materials Science · Physics 2024-11-06 Adam M. Krajewski

A thorough in situ characterization of materials at extreme conditions is challenging, and computational tools such as crystal structural search methods in combination with ab initio calculations are widely used to guide experiments by…

Materials Science · Physics 2018-11-14 Maximilian Amsler , Vinay I. Hegde , Steven D. Jacobsen , Chris Wolverton

Semiconductors with very low lattice thermal conductivities are highly desired for applications relevant to thermal energy conversion and management, such as thermoelectrics and thermal barrier coatings. Although the crystal structure and…

Materials Science · Physics 2021-07-13 Jiangang He , Yi Xia , Wenwen Lin , Koushik Pal , Yizhou Zhu , Mercouri G. Kanatzidis , Chris Wolverton

This paper analyzes a transient method for the characterization of low-resistance thermal interfaces of microelectronic packages. The transient method can yield additional information about the package not available with traditional static…

General Physics · Physics 2008-01-08 B. Smith , T. Brunschwiler , B. Michel

Quantum thermodynamics is a powerful theoretical tool for assessing the suitability of quantum materials as platforms for novel technologies. In particular, the modeling of quantum cycles allows us to investigate the heat changes and work…

Quantum Physics · Physics 2024-11-20 Vinicius Gomes de Paula , Wanisson S. Santana , Clebson Cruz , Mario Reis

A comprehensive rational thermal material design paradigm requires the ability to reduce and enhance the thermal conductivities of nanomaterials. In contrast to the existing ability to reduce the thermal conductivity, methods that allow to…

Mesoscale and Nanoscale Physics · Physics 2017-10-09 Abhinav Malhotra , Kartik Kothari , Martin Maldovan

Finding amorphous polymers with higher thermal conductivity is important, as they are ubiquitous in heat transfer applications. With recent progress in material informatics, machine learning approaches have been increasingly adopted for…

Materials Science · Physics 2021-09-08 Ruimin Ma , Hanfeng Zhang , Jiaxin Xu , Yoshihiro Hayashi , Ryo Yoshida , Junichiro Shiomi , Tengfei Luo

Computational acceleration of performance-metric-based materials discovery via high-throughput screening and machine learning methods is becoming widespread. Nevertheless, development and optimization of the opto-electronic properties that…

Materials Science · Physics 2019-06-10 Jonathon N. Baker , Preston C. Bowes , Joshua S. Harris , Douglas L. Irving

The predictive performance screening of novel compounds can significantly promote the discovery of efficient, cheap, and non-toxic thermoelectric materials. Large efforts to implement machine-learning techniques coupled to materials…

Applied Physics · Physics 2020-12-07 Patrizio Graziosi , Chathurangi Kumarasinghe , Neophytos Neophytou

One of the current trends of laser applications in material science is using high-intensity lasers to provide fast and efficient surface or volume modifications for achieving controllable material properties, synthesis of novel materials…

Low-temperature systems play a vital role in a variety of scientific research applications, including the next generation of cosmology and astrophysics telescopes. More ambitious cryogenic applications require precise estimates of the…

Instrumentation and Methods for Astrophysics · Physics 2025-09-30 Henry E. Nachman , Oorie Desai , Nicholas Galitzki , Daniel Lee , JB Lloyd , Tannishtha Nandi , Ani Pagni , Ray Radebaugh , Elle C. Shaw

In this opinion piece, we discuss recent advances in experimental methods for characterizing phase change heat transfer. We begin with a survey of techniques for high-resolution measurements of temperature and heat flux at the solid surface…

Mesoscale and Nanoscale Physics · Physics 2014-08-04 Jacopo Buongiorno , David G. Cahill , Carlos H. Hidrovo , Saeed Moghaddam , Aaron J. Schmidt , Li Shi

The discovery of new superconducting materials, particularly those exhibiting high critical temperature ($T_c$), has been a vibrant area of study within the field of condensed matter physics. Conventional approaches primarily rely on…

Superconductivity · Physics 2025-05-14 Xiao-Qi Han , Zhenfeng Ouyang , Peng-Jie Guo , Hao Sun , Ze-Feng Gao , Zhong-Yi Lu

We review the current state of the art of graphene-enhanced thermal interface materials for the management of heat the next generation of electronics. Increased integration densities, speed, and power of electronic and optoelectronic…

Applied Physics · Physics 2020-08-26 Jacob S. Lewis , Timothy Perrier , Zahra Barani , Fariborz Kargar , Alexander A. Balandin

The electrification of powertrains is rising as the objective for a more viable future is intensified. To ensure continuous and reliable operation without undesirable malfunctions, it is essential to monitor the internal temperatures of…

Machine Learning · Computer Science 2025-04-29 Panagiotis Kakosimos

Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric research emerge. One focuses on controlling electronic…

Materials Science · Physics 2015-07-14 Xue-Ya Mi , Xiaoxiang Yu , Kai-Lun Yao , Xiaoming Huang , Nuo Yang , Jing-Tao Lü

The emergence of data-driven science has opened up new avenues for understanding the thermophysical properties of materials. For decades, alloys are known to possess very low thermal conductivity, but the extreme thermal conductivity can be…

Applied Physics · Physics 2020-04-21 Jiahao Yan , Han Wei , Han Xie , Xiaokun Gu , Hua Bao