Direct Atomic Simulations of Facet Formation and Equilibrium Shapes of SiC Nanoparticles

Sveinsson, Henrik Andersen; Hafreager, Anders; Kalia, Rajiv K.; Nakano, Aiichiro; Vashishta, Priya; Malthe-Sørenssen, Anders

doi:10.1021/acs.cgd.9b00612

Title: Direct Atomic Simulations of Facet Formation and Equilibrium Shapes of SiC Nanoparticles

Journal Article · 30 January 2020 · Crystal Growth and Design

DOI: https://doi.org/10.1021/acs.cgd.9b00612 · OSTI ID:1615131

Sveinsson, Henrik Andersen ^[1]; Hafreager, Anders ^[1]; Kalia, Rajiv K. ^[2];

^[2];

^[1]

The Njord Centre, Department of Physics, University of Oslo, Sem Sælands vei 24, NO-0316, Oslo, Norway
Collaboratory for Advanced Computing and Simulations, University of Southern California, Los Angeles, California 90089-0241, United States

Not Available

View Journal Article

Cite

Export

Save

Research Organization:: Univ. of Southern California, Los Angeles, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0018195

OSTI ID:: 1615131

Journal Information:: Crystal Growth and Design, Journal Name: Crystal Growth and Design Journal Issue: 4 Vol. 20; ISSN 1528-7483

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: France

Language:: English

References (35)

Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Statistical mechanics of equilibrium crystal shapes: Interfacial phase diagrams and phase transitions Rottman, Craig; Wortis, Michael Physics Reports, Vol. 103, Issue 1-4 https://doi.org/10.1016/0370-1573(84)90066-8	journal	January 1984
Molecular dynamics simulation in single crystal 3C-SiC under nanoindentation: Formation of prismatic loops Sun, Sha; Peng, Xianghe; Xiang, Henggao Ceramics International, Vol. 43, Issue 18 https://doi.org/10.1016/j.ceramint.2017.09.003	journal	December 2017
Molecular dynamics simulation study of deformation mechanisms in 3C–SiC during nanometric cutting at elevated temperatures Chavoshi, Saeed Zare; Luo, Xichun Materials Science and Engineering: A, Vol. 654 https://doi.org/10.1016/j.msea.2015.11.100	journal	January 2016
Molecular dynamics investigation of shape effects on thermal characteristics of platinum nanoparticles Wen, Yuhua; Fang, Hui; Zhu, Zizhong Physics Letters A, Vol. 373, Issue 2 https://doi.org/10.1016/j.physleta.2008.11.017	journal	January 2009
Physics of Crystal Growth Pimpinelli, Alberto; Villain, Jacques Cambridge University Press https://doi.org/10.1017/CBO9780511622526	book	January 2010
Form Follows Function: Nanoparticle Shape and Its Implications for Nanomedicine Kinnear, Calum; Moore, Thomas L.; Rodriguez-Lorenzo, Laura Chemical Reviews, Vol. 117, Issue 17 https://doi.org/10.1021/acs.chemrev.7b00194	journal	September 2017
Atomic-Scale Mechanism on Nucleation and Growth of Mo ₂ C Nanoparticles Revealed by in Situ Transmission Electron Microscopy Fei, Linfeng; Ng, Sheung Mei; Lu, Wei Nano Letters, Vol. 16, Issue 12 https://doi.org/10.1021/acs.nanolett.6b04160	journal	November 2016
Size Dependence of Nanoscale Wear of Silicon Carbide Tangpatjaroen, Chaiyapat; Grierson, David; Shannon, Steve ACS Applied Materials & Interfaces, Vol. 9, Issue 2 https://doi.org/10.1021/acsami.6b13283	journal	January 2017
Chemistry and Properties of Nanocrystals of Different Shapes Burda, Clemens; Chen, Xiaobo; Narayanan, Radha Chemical Reviews, Vol. 105, Issue 4 https://doi.org/10.1021/cr030063a	journal	April 2005
Anisotropic Metal Nanoparticles: Synthesis, Assembly, and Optical Applications Murphy, Catherine J.; Sau, Tapan K.; Gole, Anand M. The Journal of Physical Chemistry B, Vol. 109, Issue 29 https://doi.org/10.1021/jp0516846	journal	July 2005
Controlled Growth of Nanoparticles from Solution with In Situ Liquid Transmission Electron Microscopy Evans, James E.; Jungjohann, Katherine L.; Browning, Nigel D. Nano Letters, Vol. 11, Issue 7 https://doi.org/10.1021/nl201166k	journal	July 2011
Multi-scale theory and simulation of shape-selective nanocrystal growth Fichthorn, Kristen A.; Balankura, Tonnam; Qi, Xin CrystEngComm, Vol. 18, Issue 29 https://doi.org/10.1039/C6CE01012A	journal	January 2016
Interaction potential for silicon carbide: A molecular dynamics study of elastic constants and vibrational density of states for crystalline and amorphous silicon carbide Vashishta, Priya; Kalia, Rajiv K.; Nakano, Aiichiro Journal of Applied Physics, Vol. 101, Issue 10 https://doi.org/10.1063/1.2724570	journal	May 2007
Magic angle and height quantization in nanofacets on SiC(0001) surfaces Sawada, Keisuke; Iwata, Jun-Ichi; Oshiyama, Atsushi Applied Physics Letters, Vol. 104, Issue 5 https://doi.org/10.1063/1.4864295	journal	February 2014
Surface functionalization and biomedical applications based on SiC Yakimova, R.; Petoral, R. M.; Yazdi, G. R. Journal of Physics D: Applied Physics, Vol. 40, Issue 20 https://doi.org/10.1088/0022-3727/40/20/S20	journal	October 2007
A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble Tuckerman, Mark E.; Alejandre, José; López-Rendón, Roberto Journal of Physics A: Mathematical and General, Vol. 39, Issue 19 https://doi.org/10.1088/0305-4470/39/19/S18	journal	April 2006
Some Theorems on the Free Energies of Crystal Surfaces Herring, Conyers Physical Review, Vol. 82, Issue 1 https://doi.org/10.1103/PhysRev.82.87	journal	April 1951
Morphological equilibration of a facetted crystal Ozdemir, M.; Zangwill, A. Physical Review B, Vol. 45, Issue 7 https://doi.org/10.1103/PhysRevB.45.3718	journal	February 1992
Pressure-induced phase transition in SiC Yoshida, Minoru; Onodera, Akifumi; Ueno, Masaki Physical Review B, Vol. 48, Issue 14 https://doi.org/10.1103/PhysRevB.48.10587	journal	October 1993
Molecular Dynamics Simulation of Structural Transformation in Silicon Carbide under Pressure Shimojo, Fuyuki; Ebbsjö, Ingvar; Kalia, Rajiv K. Physical Review Letters, Vol. 84, Issue 15 https://doi.org/10.1103/PhysRevLett.84.3338	journal	April 2000
Changing Shapes in the Nanoworld Combe, Nicolas; Jensen, Pablo; Pimpinelli, Alberto Physical Review Letters, Vol. 85, Issue 1 https://doi.org/10.1103/PhysRevLett.85.110	journal	July 2000
Nucleation Barrier for Volume-Conserving Shape Changes of Faceted Crystals Mullins, William W.; Rohrer, Gregory S. Journal of the American Ceramic Society, Vol. 83, Issue 1 https://doi.org/10.1111/j.1151-2916.2000.tb01173.x	journal	January 2000
The Wulff Shape of Alumina: I, Modeling the Kinetics of Morphological Evolution Kitayama, Mikito; Narushima, Takayuki; Carter, W. Craig Journal of the American Ceramic Society, Vol. 83, Issue 10 https://doi.org/10.1111/j.1151-2916.2000.tb01591.x	journal	October 2000
Nucleation Energy Barriers for Volume-Conserving Shape Changes of Crystals with Nonequilibrium Morphologies Rohrer, Gregory S.; Rohrer, C. Lane; Mullins, William W. Journal of the American Ceramic Society, Vol. 84, Issue 9 https://doi.org/10.1111/j.1151-2916.2001.tb00965.x	journal	September 2001
Atom-Resolved Imaging of Dynamic Shape Changes in Supported Copper Nanocrystals Hansen, P. L. Science, Vol. 295, Issue 5562 https://doi.org/10.1126/science.1069325	journal	March 2002
A Crossover in the Mechanical Response of Nanocrystalline Ceramics Szlufarska, I. Science, Vol. 309, Issue 5736 https://doi.org/10.1126/science.1114411	journal	August 2005
Observation of Single Colloidal Platinum Nanocrystal Growth Trajectories Zheng, H.; Smith, R. K.; Jun, Y. -w. Science, Vol. 324, Issue 5932 https://doi.org/10.1126/science.1172104	journal	June 2009
Facet development during platinum nanocube growth Liao, H. -G.; Zherebetskyy, D.; Xin, H. Science, Vol. 345, Issue 6199 https://doi.org/10.1126/science.1253149	journal	August 2014
Semiconductor Nanocrystals as Fluorescent Biological Labels Bruchez Jr., Marcel; Moronne, Mario Moronne; Gin, Peter Gin Science, Vol. 281, Issue 5385, p. 2013-2016 https://doi.org/10.1126/science.281.5385.2013	patent	September 1998
Demonstration of two-dimensional photonic crystals based on silicon carbide Song, Bong-Shik; Yamada, Shota; Asano, Takashi Optics Express, Vol. 19, Issue 12 https://doi.org/10.1364/OE.19.011084	journal	January 2011
XXV. Zur Frage der Geschwindigkeit des Wachsthums und der Auflösung der Krystallflächen Wulff, G. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 34, Issue 1-6 https://doi.org/10.1524/zkri.1901.34.1.449	journal	January 1901
Silicon Carbide Electronic Materials and Devices Capano, Michael A.; Trew, Robert J. MRS Bulletin, Vol. 22, Issue 3 https://doi.org/10.1557/S0883769400032711	journal	March 1997
Ultrahigh-Temperature Materials for Jet Engines Zhao, J. -C.; Westbrook, J. H. MRS Bulletin, Vol. 28, Issue 9 https://doi.org/10.1557/mrs2003.189	journal	September 2003
Best Practices for Foundations in Molecular Simulations [Article v1.0] Braun, Efrem; Gilmer, Justin; Mayes, Heather B. Living Journal of Computational Molecular Science, Vol. 1, Issue 1 https://doi.org/10.33011/livecoms.1.1.5957	journal	January 2019

Similar Records

Centrifugal Shape Sorting of Faceted Gold Nanoparticles Using an Atomic Plane-Selective Surfactant

Journal Article · 2012 · Journal of Physical Chemistry Letters · OSTI ID:1382843

Tyler, Timothy P.; Lin, Pin Ann; Tian, Yuan; +4 more

Rapid and reversible lithiation of doped biogenous iron oxide nanoparticles

Journal Article · 2019 · Scientific Reports · OSTI ID:1619495

Misawa, Masaaki; Hashimoto, Hideki; Kalia, Rajiv K.; +7 more

Shape regulation of high-index facet nanoparticles by dealloying

Journal Article · 2019 · Science · OSTI ID:1561411

Huang, Liliang; Liu, Mohan; Lin, Haixin; +5 more

Related Subjects

Equilibrium
36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
77 NANOSCIENCE AND NANOTECHNOLOGY
Chemistry
Crystallization
Crystallography
Layers
Materials Science
Nanocrystals
Nanoparticles

Title: Direct Atomic Simulations of Facet Formation and Equilibrium Shapes of SiC Nanoparticles

Citation Formats

References (35)

Similar Records

Related Subjects