Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites
International Journal of Materials Science and Applications
Volume 5, Issue 3, May 2016, Pages: 151-159
Received: Jul. 7, 2016; Published: Jul. 7, 2016
Views 5497      Downloads 243
Heng Gu, Rexa, Inc. West Bridgewater, MA, USA
Jiao Jiao Wang, School of Materials Science and Engineering, East China University of Science and Technology, Shanghai, China
Zhongwei Li, Department of Naval Architecture and Marine Engineering, University of New Orleans, New Orleans, LA, USA
Article Tools
Follow on us
The mechanical properties and interfacial structures for aluminum matrix composites reinforced by nanometer-sized SiC-β particles has been studied using molecular dynamics (MD) simulation. The modified embedded atom methods, was implemented to describe the atomic interactions. The molecular model undergoes an annealing MD simulation from 300 K to 1000 K to reach its minimum energy point. Tensile tests were performed with periodic boundary conditions. The stress-strain relationship has been studied and elastic constants were predicted as well. The results were compared with those given by continuum-based finite element analysis (FEA) together with the experimental data available in the literatures. It showed that both the elastic modulus and yield stress were further strengthened due to the presence of the nano-particles. Also, it was found that the existing SiC nano-particles have an effect on the initial arrangement of Al atoms in such a manner: Al atoms were inclined to aggregate around the particle surface. Aluminum concentrations were also observed inside the SiC particles close to the surface. The depth of hybridization is uniform and planar.
Molecular Dynamics, Aluminum Matrix Composites, Silicon Carbide Nano-particles
To cite this article
Heng Gu, Jiao Jiao Wang, Zhongwei Li, Molecular Dynamics Simulation of Tensile Behavior on Ceramic Particles Reinforced Aluminum Matrix Nanocomposites, International Journal of Materials Science and Applications. Vol. 5, No. 3, 2016, pp. 151-159. doi: 10.11648/j.ijmsa.20160503.16
Wu Y, Qiao X, Fan X, Zhang X, Cui S, Wan J. Facile synthesis of monodisperse Cu3SbSe4 nanoparticles and thermoelectric performance of Cu3SbSe4 nanoparticle-based materials. Journal of Nanoparticle Research. 2015 Jul 1; 17(7): 1-7.
Feng YC, Cao GJ, Fan GH, Wang LP, Geng L. Preparation and Characteristics of Al Matrix Composites Reinforced with ZnWO4 Coated (WO3p+ ABOw) Hybrid Reinforcements. JOM. 2013 Feb 1; 65(2): 278-83.
Xu X, Hong YK, Park J, Lee W, Lane AM. Ex situ synthesis of magnetically exchange coupled SrFe12O19/Fe-Co composites. AIP Advances. 2016 May 1; 6(5): 056026.
Wang J, Brabazon D, Phillion AB, Lu G. An innovative two-stage reheating process for wrought aluminum alloy during thixoforming. Metallurgical and Materials Transactions A. 2015 Sep 1; 46(9): 4191-201.
Wang JJ, Shang SZ, Lu GM, Yu JG. Research on the constitutive relationship of semi-solid ZL 201 alloy. Cailiao Kexue Yu Gongyi. 2012 Sep; 20(5): 127-31.
Li XP, Liu CY, Ma MZ, Liu RP. Microstructures and mechanical properties of AA6061–SiC composites prepared through spark plasma sintering and hot rolling. Materials Science and Engineering: A. 2016 Jan 5; 650: 139-44.
Liu Y, Huang J, Yang B, Sumpter BG, Qiao R. Duality of the interfacial thermal conductance in graphene-based nanocomposites. Carbon. 2014 Aug 31; 75: 169-77.
Liu CY, Jing R, Wang Q, Zhang B, Jia YZ, Ma MZ, Liu RP. Fabrication of Al/Al3Mg2 composite by vacuum annealing and accumulative roll-bonding process. Materials Science and Engineering: A. 2012 Dec 15; 558: 510-6.
Xu Q, Wan Y, Hu TS, Liu TX, Tao D, Niewiarowski PH, Tian Y, Liu Y, Dai L, Yang Y, Xia Z. Robust self-cleaning and micromanipulation capabilities of gecko spatulae and their bio-mimics. Nature communications. 2015 Nov 20; 6.
Chen H, Ruckenstein E. Structure and particle aggregation in block copolymer-binary nanoparticle composites. Polymer. 2010 Nov 12; 51(24): 5869-82.
Kou BF, Liu QZ. Wetting Behavior of Hydrophobic Dust and Dust-Fall Theory of Fine Droplets. Brazilian Journal of Physics. 2015 Dec 1; 45(6): 708-12.
Dang H, Singh VP, Guduru S, Rajaputra S, Chen ZD. Nanotube photovoltaic configuration for enhancement of carrier generation and collection. Nano Research. 2015 Oct 1; 8(10): 3186-96.
Liu CY, Wang Q, Jia YZ, Zhang B, Jing R, Ma MZ, Jing Q, Liu RP. Effect of W particles on the properties of accumulatively roll-bonded Al/W composites. Materials Science and Engineering: A. 2012 Jun 15; 547: 120-4.
Feng YC, Geng L, Li AB, Zheng ZZ. Fabrication and characteristics of in situ Al12W particles reinforced aluminum matrix composites by reaction sintering. Materials & Design. 2010 Feb 28; 31(2): 965-7.
Liu J, Su T, Wicks N, Pabon J, Bertoldi K. The Instability Mechanism of a Confined Rod Under Axial Vibrations. Journal of Applied Mechanics. 2016 Jan 1; 83(1): 011005.
He J, Yuan FG. Damage identification for composite structures using a cross-correlation reverse-time migration technique. Structural Health Monitoring. 2015 Sep 11: 1475921715602546.
Yang Y, Li X. Study on Ultrasonic Cavitation Based Solidification Processing and Nanoparticle Feeding for High Volume Fabrication of Aluminum Matrix Nanocomposites. In ASME 2005 International Mechanical Engineering Congress and Exposition 2005 Jan 1 (pp. 975-979). American Society of Mechanical Engineers.
He J, Yuan FG. Lamb wave-based subwavelength damage imaging using the DORT-MUSIC technique in metallic plates. Structural Health Monitoring. 2016 Jan 7: 1475921715623359.
Gierlotka S, Palosz BF, Swiderska-Sroda A, Grzanka E, Kalisz G, Fietkiewicz K, Stelmakh S, Lathe C. Synthesis of metal-ceramic nanocomposites by high-pressure infiltration. InSolid State Phenomena 2004 Dec 1 (Vol. 101, pp. 157-164).
Xu X, Park J, Hong YK, Lane AM. Magnetically self-assembled SrFe12O19/Fe–Co core/shell particles. Materials Chemistry and Physics. 2015 Feb 15; 152: 9-12.
Gu H, Wang J, Yu C. Three-dimensional Modeling of Percolation Behavior of Electrical Conductivity in Segregated Network Polymer Nanocomposites Using Monte Carlo Method. Advances in Materials. Vol. 5, No. 1, 2016, pp. 1-8.
Cai W, Cui X, Zhou X. Optimization of a GPU Implementation of Multi-dimensional RF Pulse Design Algorithm. International Conference on Bioinformatics and Biomedical Engineering 2011.
Feng YC, Geng L, Zheng PQ, Zheng ZZ, Wang GS. Fabrication and characteristic of Al-based hybrid composite reinforced with tungsten oxide particle and aluminum borate whisker by squeeze casting. Materials & Design. 2008 Dec 31; 29(10): 2023-6.
Wang L, Maruf SH, Maniglio D, Ding Y. Fabrication and characterizations of crosslinked porous polymer films with varying chemical compositions. Polymer. 2012 Aug 2; 53(17): 3749-55.
Wang JJ, Lu GM, Yu JG. Numerical Analysis of Semi-Solid Die-Casting Automobile Part Based on the Thermo-Visco-Plastic Constitutive Relation. In Advanced Materials Research 2015 May 5 (Vol. 1096, pp. 268-274).
Cai W, Gouveia LL. Modeling and Simulation of Maximum Power Point Tracker in Ptolemy. Journal of Clean Energy Technologies. 2013 Jan; 1(1).
Shang SZ, Wang JJ, Lu GM, Zhang WN, Tang XL. Numerical simulation of thixo-diecasting Al6061 alloy automobile part. InAdvanced Materials Research 2011 Dec 6 (Vol. 418, pp. 1456-1459). Trans Tech Publications.
Gu H, Gao XL, Li XC. Molecular Dynamics Study on Mechanical Properties and Interfacial Morphology of an Aluminum Matrix Nanocomposite Reinforced by β-Silicon Carbide Nanoparticles. Journal of Computational and Theoretical Nanoscience. 2009 Jan 1; 6(1): 61-72.
Cai W, Shi F. 2.4 GHz Heterodyne Receiver for Healthcare Application. International Journal of Pharmacy and Pharmaceutical Sciences, Vol 8 Issue 6, 2016.
Wang S, Zhou Y, Tan J, Xu J, Yang J, Liu Y. Computational modeling of magnetic nanoparticle targeting to stent surface under high gradient field. Computational mechanics. 2014 Mar 1; 53(3): 403-12.
Wang J, Shang S, Lu G, Yu J. Viscosity estimation of semi-solid alloys based on thermal simulation compression tests. International Journal of Materials Research. 2013 Mar 14; 104(3): 255-9.
Hu Z, Lu W, Thouless MD, Barber JR. Simulation of wear evolution using fictitious eigenstrains. Tribology International. 2015 Feb 28; 82: 191-4.
Zhang J, Liu K, Luo C, Chattopadhyay A. Crack initiation and fatigue life prediction on aluminum lug joints using statistical volume element–based multiscale modeling. Journal of Intelligent Material Systems and Structures. 2013 Nov 1; 24(17): 2097-109.
Zhang J, Johnston J, Chattopadhyay A. Physics‐based multiscale damage criterion for fatigue crack prediction in aluminium alloy. Fatigue & Fracture of Engineering Materials & Structures. 2014 Feb 1; 37(2): 119-31.
Narayanunni V, Gu H, Yu C. Monte Carlo simulation for investigating influence of junction and nanofiber properties on electrical conductivity of segregated-network nanocomposites. Acta Materialia. 2011 Jun 30; 59 (11): 4548-55.
Zhang J, Koo B, Subramanian N, Liu Y, Chattopadhyay A. An optimized cross-linked network model to simulate the linear elastic material response of a smart polymer. Journal of Intelligent Material Systems and Structures. 2015 Jul 21: 1045389X15595292.
Zhang J, Koo B, Liu Y, Zou J, Chattopadhyay A, Dai L. A novel statistical spring-bead based network model for self-sensing smart polymer materials. Smart Materials and Structures. 2015 Jul 15; 24(8): 085022.
Lennard-Jones JE. Cohesion. Proceedings of the Physical Society. 1931 Sep 1; 43(5): 461.
Baskes MI. Modified embedded-atom potentials for cubic materials and impurities. Physical Review B. 1992 Aug 1; 46(5): 2727.
Foiles SM, Baskes MI, Daw MS. Embedded-atom-method functions for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, and their alloys. Physical Review B. 1986 Jun 15; 33(12): 7983.
Li S, Arsenault RJ, Jena P. Quantum chemical study of adhesion at the SiC/Al interface. Journal of applied physics. 1988 Dec 1; 64(11): 6246-53.
Bermudez VM. Auger and electron energy‐loss study of the Al/SiC interface. Applied Physics Letters. 1983 Jan 1; 42(1): 70-2.
Li S, Arsenault RJ, Jena P. Quantum chemical study of adhesion at the SiC/Al interface. Journal of applied physics. 1988 Dec 1; 64(11): 6246-53.
Wang L, Ding Y. Creating micro-structured hydrogel-forming polymer films by photopolymerization in an evaporating solvent: Compositional and morphological evolutions. European Polymer Journal. 2015 May 31; 66: 99-107.
Cai W, Chan J, Garmire D. 3-Axes MEMS Hall-Effect Sensor. 2011 IEEE Sensors Applications Symposium, pp 141-144.
Zhang, J. Multiscale Modeling of Heterogeneous Material Systems. Doctoral dissertation, Arizona State University. 2014.
Liu Y, Huxtable ST, Yang B, Sumpter BG, Qiao R. Nonlocal thermal transport across embedded few-layer graphene sheets. Journal of Physics: Condensed Matter. 2014 Nov 13; 26(50): 502101.
Hu M, Hillyard P, Hartland GV, Kosel T, Perez-Juste J, Mulvaney P. Determination of the elastic constants of gold nanorods produced by seed mediated growth. Nano Letters. 2004 Dec 8; 4(12): 2493-7.
Zhang, J, Gu, J, Li, L, Huan, Y and Wei, B. Bonding of alumina and metal using bulk metallic glass forming alloy. International Journal of Modern Physics B. 2009 Mar 20; 23(06n07): 1306-1312.
Science Publishing Group
1 Rockefeller Plaza,
10th and 11th Floors,
New York, NY 10020
Tel: (001)347-983-5186