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Discontinuous Structural Transitions in Fluids with Competing Interactions.
Entropy (Basel)
January 2025
Instituto de Energías Renovables, Universidad Nacional Autónoma de México (UNAM), Temixco 62580, Mexico.
This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells or shoulders, analyzed in both one-dimensional (1D) and three-dimensional (3D) systems. Comparing these dimensionalities highlights the effect of confinement on structural transitions.
View Article and Find Full Text PDFDeformation mechanism and damage energy evolution of coal body under different gas pressures based on the energy principle.
Sci Rep
January 2025
College of Mining, Liaoning Technical University, Fuxin, 123000, Liaoning, China.
With increasing mining depth, the coal pillars of a coal mine will be in a stressful environment characterized by high gas pressures and unidirectional loading. To investigate the damage evolution characteristics and energy evolution mechanism of coal pillars loaded in a gas pressure environment, a uniaxial compression test was performed on a coal body under different gas pressures using a load testing apparatus for gas-containing coal rocks. The obtained results showed that the mechanical properties of the coal body varied with the gas pressure.
View Article and Find Full Text PDFMotivations for Abortion or Continuation of an Unwanted Pregnancy: A Scoping Review of the Global Literature.
Perspect Sex Reprod Health
January 2025
Obstetrics and Gyneacology, Amsterdam UMC Location University of Amsterdam, Amsterdam, The Netherlands.
Context: The aim of this scoping review was to provide an overview of recent studies in peer reviewed journals investigating self-reported motivations to have an abortion or to continue an unwanted pregnancy in different countries and settings, including both qualitative and quantitative results.
Methods: We searched for English language publications published between 2008 and 2023 indexed in four scientific databases. We included studies if they captured people's own motivations for abortion and/ or for continuing an unwanted pregnancy.
Bistable Functions and Signaling Motifs in Systems Chemistry: Taking the Next Step Toward Synthetic Cells.
Acc Chem Res
January 2025
Department of Chemistry, Ben-Gurion University of the Negev, Be'er Sheva 84105, Israel.
ConspectusA key challenge in modern chemistry research is to mimic life-like functions using simple molecular networks and the integration of such networks into the first functional artificial cell. Central to this endeavor is the development of signaling elements that can regulate the cell function in time and space by producing entities of code with specific information to induce downstream activity. Such artificial signaling motifs can emerge in nonequilibrium systems, exhibiting complex dynamic behavior like bistability, multistability, oscillations, and chaos.
View Article and Find Full Text PDFBasin-Size Mapping: Prediction of Metastable Polymorph Synthesizability Across TaC-TaN Alloys.
J Am Chem Soc
January 2025
Department of Metallurgical and Materials Enginerring, Colorado School of Mines, Golden, Colorado 80401, United States.
The sizes of the basins of attraction on the potential energy surface are helpful indicators in determining the experimental synthesizability of metastable phases. In principle, these basins can be controlled with changes in thermodynamic conditions such as composition, pressure, and surface energy. Herein, we use random structure sampling to computationally study how alloying smoothly perturbs basin of attraction sizes.
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