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06 September 2018
Open Access
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Published:
06 September 2018
Adhesive wear mechanisms uncovered by atomistic simulations
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MOLINARI J-F, AGHABABAEI R, BRINK T, et al.
Adhesive wear mechanisms uncovered by atomistic simulations.
Friction,
2018, 6(3): 245-259.
https://doi.org/10.1007/s40544-018-0234-6
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In this review, we discuss our recent advances in modeling adhesive wear mechanisms using coarse-grained atomistic simulations. In particular, we present how a model pair potential reveals the transition from ductile shearing of an asperity to the formation of a debris particle. This transition occurs at a critical junction size, which determines the particle size at its birth. Atomistic simulations also reveal that for nearby asperities, crack shielding mechanisms result in a wear volume proportional to an effective area larger than the real contact area. As the density of microcontacts increases with load, we propose this crack shielding mechanism as a key to understand the transition from mild to severe wear. We conclude with open questions and a road map to incorporate these findings in mesoscale continuum models. Because these mesoscale models allow an accurate statistical representation of rough surfaces, they provide a simple means to interpret classical phenomenological wear models and wear coefficients from physics-based principles.
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Adhesive wear mechanisms uncovered by atomistic simulations
Abstract
In this review, we discuss our recent advances in modeling adhesive wear mechanisms using coarse-grained atomistic simulations. In particular, we present how a model pair potential reveals the transition from ductile shearing of an asperity to the formation of a debris particle. This transition occurs at a critical junction size, which determines the particle size at its birth. Atomistic simulations also reveal that for nearby asperities, crack shielding mechanisms result in a wear volume proportional to an effective area larger than the real contact area. As the density of microcontacts increases with load, we propose this crack shielding mechanism as a key to understand the transition from mild to severe wear. We conclude with open questions and a road map to incorporate these findings in mesoscale continuum models. Because these mesoscale models allow an accurate statistical representation of rough surfaces, they provide a simple means to interpret classical phenomenological wear models and wear coefficients from physics-based principles.
Keywords:
molecular dynamics, adhesive wear, continuum mechanics
References(72)
[1]
Meng H C, Ludema K C. Wear models and predictive equations: their form and content. Wear 181–183:443–457(1995)
[2]
Hatchett C, ESQ F R S. IV. Experiments and observations on the various alloys, on the specific gravity, and on the comparative wear of gold. Being the substance of a report made to the Right Honourable the Lords of the Committee of Privy Council, appointed to take into consideration the state of the coins of this Kingdom, and the present establishment and constitution of his Majesty’s Mint. Phil Trans R Soc Lond 93:43–194(1803)
[3]
Archard J F. Contact and rubbing of flat surfaces. J Appl Phys 24(8):981–988(1953)
[4]
Schirmeisen A. Wear: One atom after the other. Nat Nanotechnol 8(2):81–82(2013)
[5]
Rabinowicz E. Friction and Wear of Materials. New York (USA): Wiley, 1995.
[6]
Ewen J P, Gattinoni C, Thakkar F, Morgan N, Spikes H A, Dini D. Nonequilibrium molecular dynamics investigation of the reduction in friction and wear by carbon nanoparticles between iron surfaces. Tribol Lett 63(3):38(2016)
[7]
Onodera T, Martin J M, Minfray C, Dassenoy F, Miyamoto A. Antiwear chemistry of ZDDP: coupling classical md and tight-binding quantum chemical md methods (TB-QCMD). Tribol Lett 50(1):31–39(2013)
[8]
Stoyanov P, Romero P A, Merz R, Kopnarski M, Stricker M, Stemmer P, Dienwiebel M, Moseler M. Nanoscale sliding friction phenomena at the interface of diamond-like carbon and tungsten. Acta Mater 67:395–408(2014)
[9]
Pastewka L, Moser S, Gumbsch P, Moseler M. Anisotropic mechanical amorphization drives wear in diamond. Nat Mater 10(1):34–38(2011)
[10]
Sha Z, Branicio P, Pei Q X, Sorkin V, Zhang Y W. A modified tersoff potential for pure and hydrogenated diamond- like carbon. Comput Mater Sci 67:146–150(2013)
[11]
Hu X L, Altoe M V P, Martini A. Amorphization-assisted nanoscale wear during the running-in process. Wear 370–371:46–50(2017)
[12]
Cundall P A, Strack O D L. A discrete numerical model for granular assemblies. Géotechnique 29(1):47–65(1979)
[13]
Renouf M, Massi F, Fillot N, Saulot A. Numerical tribology of a dry contact. Tribol Int 44(7–8):834–844(2011)
[14]
Fillot N, Iordanoff I, Berthier Y. Wear modeling and the third body concept. Wear 262(7–8):949–957(2007)
[15]
Jacobs T D B, Gotsmann B, Lantz M A, Carpick R W. On the application of transition state theory to atomic-scale wear. Tribol Lett 39(3):257–271(2010)
[16]
Bhaskaran H, Gotsmann B, Sebastian A, Drechsler U, Lantz M A, Despont M, Jaroenapibal P, Carpick R W, Chen Y, Sridharan K. Ultralow nanoscale wear through atom-by- atom attrition in silicon-containing diamond-like carbon. Nat Nanotechnol 5(3):181–185(2010)
[17]
Gotsmann B, Lantz M A. Atomistic wear in a single asperity sliding contact. Phys Rev Lett 101(12):125501(2008)
[18]
Sato T, Ishida T, Jalabert L, Fujita H. Real-time transmission electron microscope observation of nanofriction at a single ag asperity. Nanotechnology 23(50):505701(2012)
[19]
Merkle A P, Marks L D. Liquid-like tribology of gold studied by in situ TEM. Wear 265(11–12):1864–1869(2008)
[20]
Vahdat V, Grierson D S, Turner K T, Carpick R W. Mechanics of interaction and atomic-scale wear of amplitude modulation atomic force microscopy probes. ACS Nano 7(4):3221–3235(2013)
[21]
Chung K H. Wear characteristics of atomic force microscopy tips: A reivew. Int J Precis Eng Manuf 15(10):2219–2230(2014)
[22]
De Barros Bouchet M I, Matta C, Vacher B, Le-Mogne T, Martin J M, von Lautz J, Ma T, Pastewka L, Otschik J, Gumbsch P, Moseler M. Energy filtering transmission electron microscopy and atomistic simulations of tribo-induced hybridization change of nanocrystalline diamond coating. Carbon 87:317–329(2015)
[23]
Stoyanov P, Romero P A, Järvi T T, Pastewka L, Scherge M, Stemmer P, Fischer A, Dienwiebel M, Moseler M. Experimental and numerical atomistic investigation of the third body formation process in dry tungsten/tungsten-carbide tribo couples. Tribol Lett 50(1):67–80(2013)
[24]
Liu J J, Notbohm J K, Carpick R W, Turner K T. Method for characterizing nanoscale wear of atomic force microscope tips. ACS Nano 4(7):3763–3772(2010)
[25]
Chung K H, Kim D E. Fundamental investigation of micro wear rate using an atomic force microscope. Tribol Lett 15(2):135–144(2003)
[26]
Aghababaei R, Warner D H, Molinari J F. Critical length scale controls adhesive wear mechanisms. Nat Commun 7:11816(2016)
[27]
Aghababaei R, Warner D H, Molinari J F. On the debris- level origins of adhesive wear. Proc Natl Acad Sci USA 114(30):7935–7940(2017)
[28]
Aghababaei R, Brink T, Molinari J F. Asperity-level origins of transition from mild to severe wear. Phys Rev Lett 120(18):186105(2018)
[29]
Frérot L, Aghababaei R, Molinari J F. A mechanistic understanding of the wear coefficient: From single to multiple asperities contact. J Mech Phys Solids 114:172–184(2018)
[30]
Spijker P, Anciaux G, Molinari J F. Dry sliding contact between rough surfaces at the atomistic scale. Tribol Lett 44(2):279–285(2011)
[31]
Sørensen M R, Jacobsen K W, Stoltze P. Simulations of atomic-scale sliding friction. Phys Rev B 53(4):2101–2113(1996)
[32]
Zhong J, Shakiba R, Adams J B. Molecular dynamics simulation of severe adhesive wear on a rough aluminum substrate. J Phys D: Appl Phys 46(5):055307(2013)
[33]
Sha Z D, Sorkin V, Branicio P S, Pei Q X, Zhang Y W, Srolovitz D J. Large-scale molecular dynamics simulations of wear in diamond-like carbon at the nanoscale. Appl Phy Lett 103(7):073118(2013)
[34]
Morse P M. Diatomic molecules according to the wave mechanics. II. vibrational levels. Phys. Rev. 34(1):57–64(1929)
[35]
Oliver W C, Pharr G M. An improved technique for determining hardness and elastic modulus using load and displacement sensing indentation experiments. J Mater Res 7(6):1564–1583(1992)
[36]
Luan B Q, Robbins M O. The breakdown of continuum models for mechanical contacts. Nature 435(7044):929–932(2005)
[37]
Mo Y F, Turner K T, Szlufarska I. Friction laws at the nanoscale. Nature 457(7233):1116–1119(2009)
[38]
Mo Y F, Szlufarska I. Roughness picture of friction in dry nanoscale contacts. Phys Rev B 81(3):035405(2010)
[39]
Ziegenhain G, Urbassek H M, Hartmaier A. Inuence of crystal anisotropy on elastic deformation and onset of plasticity in nanoindentation: A simulational study. J Appl Phys 107(6):061807(2010)
[40]
Ashby M F, Jones D R H. Engineering Materials. Oxford (UK): Pergamon, 1980.
[41]
Plimpton S. Fast parallel algorithms for short-range molecular dynamics. J Comput Phys 117(1):1–9(1995)
[42]
Rabinowicz E. Influence of surface energy on friction and wear phenomena. J Appl Phys 32(8):1440–1444(1961)
[43]
Rabinowicz E. The effect of size on the looseness of wear fragments. Wear 2(1):4–8(1958)
[44]
Rice J R. Dislocation nucleation from a crack tip: An analysis based on the Peierls concept. J Mech Phys Solids 40(2):239–271(1992)
[45]
Griffith A A. VI. The phenomena of rupture and flow in solids. Philos Trans R Soc A Math Phys Eng Sci 221(582–592):163–198(1921)
[46]
Tao Z, Bhushan B. Surface modification of AFM silicon probes for adhesion and wear reduction. Tribol Lett 21(1):1–16(2006)
[47]
Jacobs T D B, Carpick R W. Nanoscale wear as a stress- assisted chemical reaction. Nat Nanotechnol 8(2):108–112(2013)
[48]
Bhushan B, Sundararajan S. Micro/nanoscale friction and wear mechanisms of thin films using atomic force and friction force microscopy. Acta Mater 46(11):3793–3804(1998)
[49]
Burwell J T, Strang C D. On the empirical law of adhesive wear. J Appl Phys 23(1):18–28(1952)
[50]
Holm R. Frictional wear in metallic contacts without current. In Electric Contacts. Holm R, Ed. Berlin, Heidelberg (Germany): Springer, 1946: 232-242.
[51]
Uetz H, Föhl J. Wear as an energy transformation process. Wear 49(2):253–264(1978)
[53]
Popov V L, Pohrt R, Li Q. Strength of adhesive contacts: Influence of contact geometry and material gradients. Friction 5(3):308–325(2017)
[54]
McFarlane J S, Tabor D. Adhesion of solids and the effect of surface films. Proc R Soc A Math Phys Eng Sci 202(1069):224–243(1950)
[55]
Pastewka L, Robbins M O. Contact between rough surfaces and a criterion for macroscopic adhesion. Proc Natl Acad Sci USA 111(9):3298–3303(2014)
[56]
Persson B N J. Elastoplastic contact between randomly rough surfaces. Phys Rev Lett 87(11):116101(2001)
[57]
Stachowiak G P, Stachowiak G W, Podsiadlo P. Automated classification of wear particles based on their surface texture and shape features. Tribol Int 41(1):34–43(2008)
[58]
Queener C A, Smith T C, Mitchell W L. Transient wear of machine parts. Wear 8(5):391–400(1965)
[59]
Komvopoulos K, Choi D H. Elastic finite element analysis of multi-asperity contacts. J Tribol 114(4):823–831(1992)
[60]
Caroli C, Nozières P. Hysteresis and elastic interactions of microasperities in dry friction. Eur Phys J B 4(2):233–246(1998)
[61]
Bowden F P, Tabor D. The area of contact between stationary and between moving surfaces. Proc R Soc A Math Phys Eng Sci 169(938):391–413(1939)
[62]
Archard J F, Hirst W. The wear of metals under unlubricated conditions. Proc R Soc A Math Phys Eng Sci 236(1206):397–410(1956)
[63]
Lim S C, Ashby M F. Overview no. 55 wear-mechanism maps. Acta Metall 35(1):1–24(1987)
[64]
Kitsunai H, Kato K, Hokkirigawa K, Inoue H. The transitions between microscopic wear modes during repeated sliding friction observed by a scanning electron microscope tribosystem. Wear 135(2):237–249(1990)
[66]
Wang Y S, Hsu S M. Wear and wear transition modeling of ceramics. Wear 195(1–2):35–46(1996)
[68]
Zhang J, Alpas A. Transition between mild and severe wear in aluminium alloys. Acta Mater 45(2):513–528(1997)
[69]
Kato K, Adachi K. Wear of advanced ceramics. Wear 253(11–12):1097–1104(2002)
[71]
Wang S Q, Wang L, Zhao Y T, Sun Y, Yang Z R. Mild-to- severe wear transition and transition region of oxidative wear in steels. Wear 306(1–2):311–320(2013)
[72]
Murakami Y. Stress Intensity Factors Handbook. New York (USA): Pergamon Press, 1987.
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Received: 01 May 2018
Revised: 14 July 2018
Accepted: 16 July 2018
Published:
06 September 2018
Issue date: September 2018
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