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Does Local Structure Bias How a Crystal Nucleus Evolves?

文献类型：期刊论文

作者Hall, Kyle Wm.1,2,6,7; Zhang, Zhengcai1,3; Burnham, Christian J.4; Guo, Guang-Jun3,5; Carpendale, Sheelagh2; English, Niall J.4; Kusalik, Peter G.1
刊名JOURNAL OF PHYSICAL CHEMISTRY LETTERS
出版日期2018-12-20
卷号9期号:24页码:6991-6998
ISSN号1948-7185
DOI10.1021/acs.jpclett.8b03115
英文摘要The broad scientific and technological importance of crystallization has led to significant research probing and rationalizing crystal nucleation processes. Previous work has generally neglected the possibility of the molecular-level dynamics of individual crystal nuclei coupling to local structures. However, recent experimental work has conjectured that this can occur. Therefore, to address a deficiency in scientific understanding of crystallization, we have probed the nucleation of prototypical single and multicomponent crystals (specifically, ice and mixed gas hydrates). We establish that local structures can bias the evolution of nascent crystal phases on a nanosecond time scale by, for example, promoting the appearance or disappearance of specific crystal motifs and thus reveal a new facet of crystallization behavior. Moreover, we demonstrate structural biases are likely present during crystallization processes beyond ice and gas hydrate formation. Structurally biased dynamics are a lens for understanding existing computational and experimental results while pointing to future opportunities.
WOS关键词HOMOGENEOUS ICE NUCLEATION ; MOLECULAR-DYNAMICS ; SUPERCOOLED LIQUID ; HYDRATE NUCLEATION ; METHANE HYDRATE ; MODEL ; SIMULATIONS ; MECHANISMS ; GROWTH ; PHASE
资助项目Alberta Innovates - Technology Futures (AITF) ; Canadian Foundation for Innovation (CFI) ; Natural Sciences and Engineering Research Council of Canada[RGPIN-2016-03845] ; National Natural Science Foundation of China[41602038] ; National Natural Science Foundation of China[41372059] ; Science Foundation Ireland[SFI/15/ERC/I3142] ; SMART Technologies ; NSERC Vanier CGS Program ; University of Calgary ; Ireland-Canada University Foundation ; Compute Canada
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
语种英语
WOS记录号WOS:000454752000011
出版者AMER CHEMICAL SOC
资助机构Alberta Innovates - Technology Futures (AITF) ; Alberta Innovates - Technology Futures (AITF) ; Canadian Foundation for Innovation (CFI) ; Canadian Foundation for Innovation (CFI) ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Foundation Ireland ; Science Foundation Ireland ; SMART Technologies ; SMART Technologies ; NSERC Vanier CGS Program ; NSERC Vanier CGS Program ; University of Calgary ; University of Calgary ; Ireland-Canada University Foundation ; Ireland-Canada University Foundation ; Compute Canada ; Compute Canada ; Alberta Innovates - Technology Futures (AITF) ; Alberta Innovates - Technology Futures (AITF) ; Canadian Foundation for Innovation (CFI) ; Canadian Foundation for Innovation (CFI) ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Foundation Ireland ; Science Foundation Ireland ; SMART Technologies ; SMART Technologies ; NSERC Vanier CGS Program ; NSERC Vanier CGS Program ; University of Calgary ; University of Calgary ; Ireland-Canada University Foundation ; Ireland-Canada University Foundation ; Compute Canada ; Compute Canada ; Alberta Innovates - Technology Futures (AITF) ; Alberta Innovates - Technology Futures (AITF) ; Canadian Foundation for Innovation (CFI) ; Canadian Foundation for Innovation (CFI) ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Foundation Ireland ; Science Foundation Ireland ; SMART Technologies ; SMART Technologies ; NSERC Vanier CGS Program ; NSERC Vanier CGS Program ; University of Calgary ; University of Calgary ; Ireland-Canada University Foundation ; Ireland-Canada University Foundation ; Compute Canada ; Compute Canada ; Alberta Innovates - Technology Futures (AITF) ; Alberta Innovates - Technology Futures (AITF) ; Canadian Foundation for Innovation (CFI) ; Canadian Foundation for Innovation (CFI) ; Natural Sciences and Engineering Research Council of Canada ; Natural Sciences and Engineering Research Council of Canada ; National Natural Science Foundation of China ; National Natural Science Foundation of China ; Science Foundation Ireland ; Science Foundation Ireland ; SMART Technologies ; SMART Technologies ; NSERC Vanier CGS Program ; NSERC Vanier CGS Program ; University of Calgary ; University of Calgary ; Ireland-Canada University Foundation ; Ireland-Canada University Foundation ; Compute Canada ; Compute Canada
源URL[http://ir.iggcas.ac.cn/handle/132A11/90237]  
专题地质与地球物理研究所_中国科学院地球与行星物理重点实验室
通讯作者Kusalik, Peter G.
作者单位1.Univ Calgary, Dept Chem, Calgary, AB T2N 1N4, Canada
2.Univ Calgary, Dept Comp Sci, Calgary, AB T2N 1N4, Canada
3.Chinese Acad Sci, Key Lab Earth & Planetary Phys, Inst Geol & Geophys, Beijing 100029, Peoples R China
4.Univ Coll Dublin, Sch Chem & Bioproc Engn, Dublin 4, Ireland
5.Univ Chinese Acad Sci, Coll Earth Sci, Beijing 100049, Peoples R China
6.Temple Univ, Inst Computat Mol Sci, Philadelphia, PA 19122 USA
7.Temple Univ, Dept Chem, Philadelphia, PA 19122 USA
推荐引用方式
GB/T 7714		 Hall, Kyle Wm.,Zhang, Zhengcai,Burnham, Christian J.,et al. Does Local Structure Bias How a Crystal Nucleus Evolves?[J]. JOURNAL OF PHYSICAL CHEMISTRY LETTERS,2018,9(24):6991-6998.
APA Hall, Kyle Wm..,Zhang, Zhengcai.,Burnham, Christian J..,Guo, Guang-Jun.,Carpendale, Sheelagh.,...&Kusalik, Peter G..(2018).Does Local Structure Bias How a Crystal Nucleus Evolves?.JOURNAL OF PHYSICAL CHEMISTRY LETTERS,9(24),6991-6998.
MLA Hall, Kyle Wm.,et al."Does Local Structure Bias How a Crystal Nucleus Evolves?".JOURNAL OF PHYSICAL CHEMISTRY LETTERS 9.24(2018):6991-6998.

入库方式： OAI收割

来源：地质与地球物理研究所

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