AI Article Synopsis
- - This study involves molecular dynamics simulations that analyze how structural changes in supercooled liquid and amorphous silicene occur under pressure, using models with 10,000 atoms that were rapidly cooled from liquid state.
- - Three different temperature conditions were tested: amorphous silicene at 1000K, supercooled liquid at 1500K, and liquid silicon at 2000K, focusing on how applying pressure affects their structure, including the discovery of unique pentagonal and square lattices (Cairo tiling) in silicene.
- - The research describes various transitions between low-density and high-density states of silicene, examining changes in bond distances and angles, while also considering the atomic structure and its
Article Abstract
This molecular dynamics (MD) simulation carries a detailed analysis of a pressure-induced structural transition supercooled liquid and amorphous silicene (a-silicene). Low-density models of supercooled liquid and a-silicene containing 10 000 atoms are obtained by rapid cooling processes from the melts. Then, an a-silicene model at T = 1000 K, a supercooled liquid model at T = 1500 K and a liquid silicon model at T = 2000 K have been isothermally compressed step by step up to a high density in order to observe the pressure-induced structural changes. Specifically 'Cairo tiling' pentagonal and square lattices of silicene are discovered in our calculations. Structural properties of those penta-silicene and tetra-silicene models have been carefully analyzed through the radial distribution functions, interatomic distances, bond-angle distributions under high-pressure condition. The dependence of pressure on formation behaviors is calculated via pressure-volume and energy-density relationships. The first order transition from low-density supercooled liquid/amorphous silicene to high-density penta-silicene and continuous transition from low-density liquid to high-density tetra-silicene are discussed. Atomic mechanism and sp/sp hybridization evolution are inspected whereas the role of low-membered ring defects/boundary promises remarkable application and advanced research in future.
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1088/1361-648X/aaf402 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
The Photoinduced Response of Antimony from Femtoseconds to Minutes.
Adv Mater
January 2025
Institute of Materials Physics, University of Münster, Wilhelm-Klemm-Str. 10, 48149, Münster, Germany.
As a phase change material (PCM), antimony exhibits a set of desirable properties that make it an interesting candidate for photonic memory applications. These include a large optical contrast between crystalline and amorphous solid states over a wide wavelength range. Switching between the states is possible on nanosecond timescales by applying short heating pulses.
View Article and Find Full Text PDFStructural Origin of Dynamic Heterogeneity in Supercooled Liquids.
J Phys Chem B
January 2025
Research Center for Advanced Science and Technology, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8904, Japan.
As a liquid is supercooled toward the glass transition point, its dynamics slow significantly, provided that crystallization is avoided. With increased supercooling, the particle dynamics become more spatially heterogeneous, a phenomenon known as dynamic heterogeneity. Since its discovery, this characteristic of metastable supercooled liquids has garnered considerable attention in glass science.
View Article and Find Full Text PDFMicroscopic structural origin of slow dynamics in glass-forming liquids.
Nat Mater
January 2025
Department of Fundamental Engineering, Institute of Industrial Science, The University of Tokyo, Tokyo, Japan.
Supercooled liquids display sluggish dynamics, often attributed to their structural characteristics, yet the underlying mechanism remains elusive. Here we conduct numerical investigations into the structure-dynamics relationship in model glass-forming liquids, with a specific focus on an elementary particle rearrangement mode known as the 'T1 process'. We discover that the ability of a T1 process to preserve glassy structural order before and after is pivotal towards determining a liquid's fragility-whether it exhibits super-Arrhenius-like or Arrhenius-like behaviour.
View Article and Find Full Text PDFHidden domain boundary dynamics toward crystalline perfection.
Proc Natl Acad Sci U S A
January 2025
Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305.
A central paradigm of nonequilibrium physics concerns the dynamics of heterogeneity and disorder, impacting processes ranging from the behavior of glasses to the emergent functionality of active matter. Understanding these complex mesoscopic systems requires probing the microscopic trajectories associated with irreversible processes, the role of fluctuations and entropy growth, and the timescales on which nonequilibrium responses are ultimately maintained. Approaches that illuminate these processes in model systems may enable a more general understanding of other heterogeneous nonequilibrium phenomena, and potentially define ultimate speed and energy cost limits for information processing technologies.
View Article and Find Full Text PDFSmall-molecule organic ice microfibers.
Sci Adv
January 2025
New Cornerstone Science Laboratory, State Key Laboratory of Extreme Photonics and Instrumentation, College of Optical Science and Engineering, Zhejiang University, Hangzhou 310027, China.
Small organic molecules are essential building blocks of our universe, from cosmic dust to planetary surfaces to life. Compared to their well-known gaseous and liquid forms that have been extensively studied, small organic molecules in the form of ice at low temperatures receive much less attention. Here, we show that supercooled small-molecule droplets can be drawn into highly uniform amorphous ice microfibers with lengths up to 5 cm and diameters down to 200 nm.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!