Phase transitions in free water nanoparticles. Theoretical modeling of [H2O]48 and [H2O]118
Author:
Affiliation:
1. IT4Innovations National Supercomputing Center
2. VSB – Technical University of Ostrava
3. 708 33 Ostrava
4. Czech Republic
5. IT4Innovations National Supercomputing Center & Department of Applied Mathematics
Abstract
Classical parallel-tempering Monte Carlo simulations of [H2O]48 and [H2O]118 have been performed in the isothermal–isobaric ensemble and a two-dimensional multiple-histogram method has been used to calculate the heat capacity of the two clusters.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP04909H
Reference29 articles.
1. Experimental Determination of the Melting Point and Heat Capacity for a Free Cluster of 139 Sodium Atoms
2. Irregular variations in the melting point of size-selected atomic clusters
3. Calorimetric Observation of the Melting of Free Water Nanoparticles at Cryogenic Temperatures
4. Experimental nanocalorimetry of protonated and deprotonated water clusters
5. C. J. Geyer , inComputing Science and Statistics: Proceedeings of the 23rd Symposium on the Interface, American Statistical Association, New York, 1991, p. 156
Cited by 3 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations;The Journal of Physical Chemistry A;2020-05-05
2. The Effect of Single-Atomic Ions on the Melting of Microscopic Ice Particles According to Molecular Dynamics Data;Colloid Journal;2018-09
3. Wang–Landau approach to the simulation of water clusters;Molecular Simulation;2018-08-08
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3