Thermodynamics

Thermodynamics is the mathematical analysis of energy relationships. It is a scientific discipline concerned with heat and temperature and their relation to energy and work. It deals with the bulk macroscopic properties of a system, rather than those of the microscopic constituents.

Latest Research and Reviews

  • Research |

    High-throughput computation is especially useful for materials screening where synthesis is challenging. Here, it is used to construct a stability map of ternary nitrides, allowing discovery of stable compounds and providing insight into principles that govern nitride stability.

    • Wenhao Sun
    • , Christopher J. Bartel
    • , Elisabetta Arca
    • , Sage R. Bauers
    • , Bethany Matthews
    • , Bernardo Orvañanos
    • , Bor-Rong Chen
    • , Michael F. Toney
    • , Laura T. Schelhas
    • , William Tumas
    • , Janet Tate
    • , Andriy Zakutayev
    • , Stephan Lany
    • , Aaron M. Holder
    •  & Gerbrand Ceder
  • Research | | open

    Correlations in quantum thermodynamics are usually regarded as a useful but expensive resource. Here, the authors prove that the work cost of generating multiple copies of a state is lower if the copies are correlated, pointing out at the irreversibility of the process in the single-shot regime.

    • Facundo Sapienza
    • , Federico Cerisola
    •  & Augusto J. Roncaglia
  • Research |

    Conventional chemical reactors are subject to the equilibrium limitations imposed by the overall reaction. It has now been shown that this limitation can be overcome if reactants are fed separately to a reactor and a non-stoichiometric oxygen carrier is used to transfer both oxygen and key chemical information across a reaction cycle.

    • Ian S. Metcalfe
    • , Brian Ray
    • , Catherine Dejoie
    • , Wenting Hu
    • , Christopher de Leeuwe
    • , Cristina Dueso
    • , Francisco R. García-García
    • , Cheuk-Man Mak
    • , Evangelos I. Papaioannou
    • , Claire R. Thompson
    •  & John S. O. Evans
  • Research | | open

    Water can crystallize in different ice polymorphs according to temperature and pressure conditions. Here the authors predict by molecular dynamics simulations a new ice phase spontaneously forming at room temperature under high pressure and high electric field.

    • Weiduo Zhu
    • , Yingying Huang
    • , Chongqin Zhu
    • , Hong-Hui Wu
    • , Lu Wang
    • , Jaeil Bai
    • , Jinlong Yang
    • , Joseph S. Francisco
    • , Jijun Zhao
    • , Lan-Feng Yuan
    •  & Xiao Cheng Zeng

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