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Does Local Structure Bias How a Crystal Nucleus Evolves?
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
2018-12-20
发表期刊JOURNAL OF PHYSICAL CHEMISTRY LETTERS
ISSN1948-7185
卷号9期号:24页码:6991-6998
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.
DOI10.1021/acs.jpclett.8b03115
资助者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
关键词[WOS]HOMOGENEOUS ICE NUCLEATION ; MOLECULAR-DYNAMICS ; SUPERCOOLED LIQUID ; HYDRATE NUCLEATION ; METHANE HYDRATE ; MODEL ; SIMULATIONS ; MECHANISMS ; GROWTH ; PHASE
语种英语
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
资助者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
WOS研究方向Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS类目Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
WOS记录号WOS:000454752000011
出版者AMER CHEMICAL SOC
引用统计
文献类型期刊论文
条目标识符http://ir.iggcas.ac.cn/handle/132A11/90237
专题地球与行星物理院重点实验室
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
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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.
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