Tribology LettersPub Date : 2024-03-12DOI: 10.1007/s11249-024-01835-7
Lars B. Kruse, Kerstin Falk, Michael Moseler
{"title":"Calculating High-Pressure PAO4 Viscosity with Equilibrium Molecular Dynamics Simulations","authors":"Lars B. Kruse, Kerstin Falk, Michael Moseler","doi":"10.1007/s11249-024-01835-7","DOIUrl":"10.1007/s11249-024-01835-7","url":null,"abstract":"<div><p>The development of optimized lubricants is hindered by missing knowledge of fluid properties, in particular the viscosity, in the range of extreme pressures and temperatures relevant for application. Molecular dynamics simulations can be used to calculate viscosity, but the necessary computational effort imposes practical limits for high viscosities. In this study, the viscosity of PAO4 oil was extracted from equilibrium molecular dynamics simulations as a function of pressure and temperature reaching viscosities up to 20 Pas. Three calculation methods based on different microscopic expressions for the viscosity were used. The methods exhibit considerably different performance with respect to preciseness and computational efficiency. The highest viscosities were found to be calculated most efficiently via the Stokes–Einstein relation, by computing the diffusion coefficient from the velocity correlation function. This offers a new, more effective route to push viscosity calculations in equilibrium molecular dynamics simulations to higher pressure systems.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-024-01835-7.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140128061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tribology LettersPub Date : 2024-03-11DOI: 10.1007/s11249-024-01845-5
T. Alexopoulos, E. N. Gazis, S. Maltezos, G. Koutelieris, B. N. J. Persson
{"title":"On the Use of Foam Rubber for Sealing Applications","authors":"T. Alexopoulos, E. N. Gazis, S. Maltezos, G. Koutelieris, B. N. J. Persson","doi":"10.1007/s11249-024-01845-5","DOIUrl":"10.1007/s11249-024-01845-5","url":null,"abstract":"<div><p>O-rings made from foam rubber are often used in sealing applications. Foam rubber have low (macroscopic) elastic modulus <span>(E_0)</span> resulting in a low nominal contact pressure when squeezed against a countersurface. In most cases the foam rubber is covered by a thin surface film with the effective elastic modulus <span>(E_1 > E_0)</span>. We show that the nominal contact pressure may not be high enough for the contact area to percolate and the O-ring seal will leak. For the leakage calculations we use the Persson multiscale contact mechanics theory, and the (modified) Bruggeman effective medium theory for the fluid flow conductivity. The experimental input for the theory are surface roughness power spectrum, which was obtained from stylus topography measurements, and the elastic properties (<span>(E_0)</span> and <span>(E_1)</span>) of the rubber O-ring. As an application of this calculation method, we have used the preliminary as well as the final results of the laboratory gas tightness tests of the 136 New Small Wheel Micromegas Quadruplets performed at CERN, from February 2019 to May 2021, in the framework of the ATLAS Experiment upgrade. In the integration quality control, a novel method for gas tightness measurement, that we have called “Flow Rate Loss”, has been used as a baseline method.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-024-01845-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140100213","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tribology LettersPub Date : 2024-03-11DOI: 10.1007/s11249-024-01837-5
T. MacLucas, P. G. Grützmacher, P. Leonhard-Trautmann, S. Suarez, C. Gachot, F. Mücklich
{"title":"Combining Carbon Nanoparticle Coatings and Laser Surface Texturing for Enhanced Lubricity Under High Loads","authors":"T. MacLucas, P. G. Grützmacher, P. Leonhard-Trautmann, S. Suarez, C. Gachot, F. Mücklich","doi":"10.1007/s11249-024-01837-5","DOIUrl":"10.1007/s11249-024-01837-5","url":null,"abstract":"<div><p>Developing new lubrication concepts greatly contributes to improving the energy efficiency of mechanical systems. Nanoparticles such as those based on carbon allotropes or 2D materials have received widespread attention due to their outstanding mechanical and tribological performance. However, these systems are limited by a short wear life. Combining nanoparticle coatings with laser surface texturing has been demonstrated to substantially improve their durability due to the reservoir effect which prevents immediate particle removal from the contact. In this study, we investigate the high-load (20 N) tribological performance of AISI 304 austenitic stainless-steel substrates, which are line-patterned by laser interference patterning and subsequently coated with different carbon nanoparticle coatings (carbon nanotubes, carbon onions, carbon nanohorns) against alumina and 100Cr6 counter bodies. In addition to that, benchmark testing is performed with conventional solid lubricant coatings (graphite, MoS<sub>2</sub>, WS<sub>2</sub>). Electrophoretic deposition is used as the main coating technique along with air spraying (for WS<sub>2</sub>). All coatings substantially improve friction compared to the purely laser-patterned reference. Among all coating materials, carbon nanotubes demonstrate superior lubricity and the longest wear life against 100Cr6 and alumina counter bodies. Detailed characterization of the resulting wear tracks by energy-dispersive X-ray spectroscopy, scanning electron microscopy, and confocal laser scanning microscopy provides insights into the friction mechanisms of the various solid lubricant particles. Further, material transfer is identified as an important aspect for effective and long-lasting lubrication.</p></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-024-01837-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140098815","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Roughness Evolution Induced by Third-Body Wear","authors":"Joaquin Garcia-Suarez, Tobias Brink, Jean-François Molinari","doi":"10.1007/s11249-024-01833-9","DOIUrl":"10.1007/s11249-024-01833-9","url":null,"abstract":"<div><p>Surface roughness is a key factor when it comes to friction and wear, as well as to other physical properties. These phenomena are controlled by mechanisms acting at small scales, in which the topography of apparently flat surfaces is revealed. Roughness in natural surfaces has been reported to conform to self-affine statistics in a wide variety of settings (ranging from earthquake physics to micro-electro-mechanical devices), meaning that the height profile can be described using a spectrum where the amplitude is proportional to its wavelength raised to a constant power, which is related to a statistical parameter named Hurst exponent. We analyze the roughness evolution in atomistic surfaces during molecular dynamics simulations of wear. Both pairs of initially flat and initially rough surfaces in contact are worn by a third body formed by particles trapped between them during relative sliding. During the first sliding stages, the particles trapped between the first bodies scratch the surfaces. Once the former becomes coated with atoms from the latter, the wear process slows down and becomes “adhesive like.” The initial particle sizes are consistent with the minimum size to be expected for the debris, but tend to grow by material removal from the surfaces and to agglomerate. We show that, for the particular configurations under consideration, the surface roughness seems to converge to a steady state characterized by Hurst exponent close to 0.8, independently of the initial conditions.</p></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-024-01833-9.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140071024","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tribology LettersPub Date : 2024-03-05DOI: 10.1007/s11249-024-01838-4
Yang Xu, Longan Zhu, Feiyun Xiao, Yunong Zhou
{"title":"A New Fudge Factor for Persson’s Theory of Purely Normal Elastic Rough Surface Contact","authors":"Yang Xu, Longan Zhu, Feiyun Xiao, Yunong Zhou","doi":"10.1007/s11249-024-01838-4","DOIUrl":"10.1007/s11249-024-01838-4","url":null,"abstract":"<div><p>After more than two decades of development, Persson’s theory has become one of the dominantly used theoretical tools to analyze the interaction between a nominally flat rough surface and a rigid flat. The original theory (Persson in J. Chem. Phys. 115(8):3840–3861, 2001) tends to overestimate and underestimate the relative contact area and strain energy, respectively, for linear elastic purely normal contact. Several fudge factors, obtained empirically based on numerical solutions, have been used to amend the strain energy associated with each wavenumber, resulting in scale history-dependent formulations for the relative contact area and probability density function (PDF) of contact pressure, which significantly complicate the solution process. We provide a new fudge factor that results in simple formulations of the relative contact area and PDF of contact pressure, which only relies on the present scale. Compared with the relative contact area and PDF of contact pressure solved by Green’s Function Molecular Dynamics (GFMD), Persson’s theory using the new fudge factor shows similar accuracy to other variants. Among all variants of Persson’s theory, the use of the new hybrid formulation of strain energy results in the best agreement with GFMD. Using the new fudge factor, various interfacial properties (e.g., the average interfacial gap) can be derived with a simple form, and solved more quickly, with acceptable accuracy.</p><h3>Graphical Abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140045780","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Reactive Molecular Dynamics Simulation Study on Atomic-Scale Adhesive Wear Mechanisms of Single Crystalline Body-Centered Cubic Iron","authors":"Yusuke Ootani, Masaki Tsuchiko, Masayuki Kawaura, Mizuho Yokoi, Qian Chen, Yuta Asano, Nobuki Ozawa, Momoji Kubo","doi":"10.1007/s11249-024-01834-8","DOIUrl":"10.1007/s11249-024-01834-8","url":null,"abstract":"<div><p>The adhesive wear of steel is a crucial issue in many industrial fields because it can lead to serious machine failure. However, the adhesive wear mechanism is still under debate owing to its complexity. Therefore, in this work, we performed reactive molecular dynamics-based sliding simulations of single crystalline body-centered cubic iron and investigated the fundamental atomic-scale adhesive wear mechanism for improving the wear resistance of steel. The effects of surface orientation, sliding direction, and humid atmosphere on the adhesive wear property were analyzed. In the sliding simulation, we observed two adhesive wear types. One is the wear accompanying surface deformation, in which the surface asperities gradually deform by slip and adhere severely. The other is the wear accompanying surface fracture with crack generation. The former can lead to seizures, whereas the latter can lead to wear debris formation. We propose that the rubbing surface orientation and sliding direction alter the atomic-scale adhesive wear type. Wear with surface deformation occurred when the deformation by slip was favorable, whereas wear with surface fracture occurred when slip was not favorable. Understanding the adhesive wear mechanism of iron in humid atmospheres is also important in many industrial fields. When water molecules were present at the sliding interface, both types of adhesive wear were suppressed. At the sliding interface, Fe–OH and Fe–O–Fe groups were formed on the scars through the tribochemical reaction with water. These groups passivated the nascent Fe surfaces and suppressed adhesion to the counter surface, thereby reducing adhesive wear. Therefore, we conclude that the surface orientation and sliding direction determine the atomic-scale adhesive wear type, whereas a humid atmosphere affects the wear amount at the atomic scale.</p></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-024-01834-8.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140017745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Tribology LettersPub Date : 2024-02-22DOI: 10.1007/s11249-024-01836-6
Jannat Ahmed, Q. Jane Wang, Oluwaseyi Balogun, Ning Ren, Roger England, Frances Lockwood
{"title":"Correction to: Molecular Dynamics Modeling of Thermal Conductivity of Several Hydrocarbon Base Oils","authors":"Jannat Ahmed, Q. Jane Wang, Oluwaseyi Balogun, Ning Ren, Roger England, Frances Lockwood","doi":"10.1007/s11249-024-01836-6","DOIUrl":"10.1007/s11249-024-01836-6","url":null,"abstract":"","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140441271","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Preparation of Liquid Metal-based SiC/Graphene Binary Hybrid Nanofluid and Its Basic Properties as Hydraulic Transmission Medium","authors":"Jiajun Jiang, Xian Meng, Kunyang Mu, Qichen Zhu, Chengdu Geng, Changli Cai, Zhangyong Wu","doi":"10.1007/s11249-024-01828-6","DOIUrl":"10.1007/s11249-024-01828-6","url":null,"abstract":"<div><p>Liquid metal (LM) with good room-temperature fluidity and high-temperature stability is an ideal base fluid for extreme high-temperature hydraulic transmission medium. However, the low viscosity and high density of LMs are not conducive to the sealing and lubrication performance of hydraulic components. Using Ga<sub>68.5</sub>In<sub>21.5</sub>Sn<sub>10</sub> as the base fluid and SiC nanoparticles and graphene with good self-lubricity as a dispersed phase through homogenization and grinding, the novel LM-based SiC/Graphene binary hybrid nanofluid were prepared. The basic physical properties, rheological properties and lubricity at 25–200 °C of LM-based SiC/Graphene binary hybrid nanofluid at 0% 5 vol. %, 10 vol. %, 20 vol. % and 30 vol. % of nanoadditives were also explored. Compared with existing high-temperature hydraulic medium, LM-based SiC/Graphene binary hybrid nanofluid has excellent thermal stability, excellent heat dissipation performance, smaller temperature-viscosity changes, and good high-temperature lubricating performance. We selected 20 vol. % of the samples with the most suitable rheological and lubricating properties for hydraulic transmission medium and evaluated the volumetric efficiency and wear of the gear pump by introducing the samples into a hydraulic system. The results show that compared to pure LM, 20 vol. % of the sample can improve the volumetric efficiency of the gear pump and demonstrate good anti-wear performance.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139773160","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Clarification of the Effect of Surface Energy on Tribological Behavior of Two-Phase Lubricant Using Reflectance Spectroscopy and Hydrodynamic Analysis","authors":"Kodai Hirata, Motoyuki Murashima, Noritsugu Umehara, Takayuki Tokoroyama, Woo-Young Lee, Naoya Hashizume, Taku Sato, Ryoko Nagata, Kiyoshi Hanyuda, Ayano Otsuka, Mao Ueda","doi":"10.1007/s11249-023-01827-z","DOIUrl":"10.1007/s11249-023-01827-z","url":null,"abstract":"<div><p>Recently, a new type of lubricant called two-phase lubricants has been developed to realize a high viscosity index. Two-phase lubricants are mixtures of two different lubricants, realizing low viscosity even at low temperatures due to the temperature dependence of the solubility of the lubricant molecules. In the present paper, the effect of surface energy on the tribological behavior of the two-phase lubricant is clarified using in situ observation with reflection spectroscopy. Sliding surfaces with high hydrogen-bonding terms in the surface energy components attracted high-polar lubricants, resulting in reduced friction. Analysis of the theoretical friction coefficient using Couette flow assumption revealed an important design concept of two-phase lubricants: the concentration of high viscosity lubricants on solid surfaces develops a viscosity distribution in the oil film, resulting in reduced friction.</p></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-023-01827-z.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139773479","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"The Effect of Carbon Structure of DLC Coatings on Friction Characteristics of MoDTC-Derived Tribofilm by Using an In Situ Reflectance Spectroscopy","authors":"Naoya Hashizume, Yusei Yamamoto, Cheng Chen, Takayuki Tokoroyama, Ruixi Zhang, Dongfeng Diao, Noritsugu Umehara","doi":"10.1007/s11249-024-01829-5","DOIUrl":"10.1007/s11249-024-01829-5","url":null,"abstract":"<div><p>In this study, six types of DLC coatings were prepared, featuring different carbon structures (including amorphous ta-C coatings and GNC coatings with nanocrystallites) and different doped Ta amounts, to investigate friction characteristics. The results of friction tests with MoDTC-added lubricant revealed a consistent trend: DLC coatings with a higher <i>I</i><sub>D</sub>/<i>I</i><sub>G</sub> ratio exhibited lower friction coefficients. In addition, in situ observations using reflectance spectroscopy highlighted that the tribofilm formed on DLC coatings with a higher <i>I</i><sub>D</sub>/<i>I</i><sub>G</sub> ratio maintained a higher <span>({{text{MoS}}}_{2}/({{text{MoS}}}_{2}+{{text{MoO}}}_{3}))</span> ratio, which exhibited a strong correlation with the friction coefficient. Measurements of a work function of each DLC coating indicated that those with a higher <i>I</i><sub>D</sub>/<i>I</i><sub>G</sub> ratio had a higher work function, suggesting the inclusion of a larger amount of graphite structure defects. These active defects in the graphite structure were deemed responsible for enhancing the friction reduction effect of MoDTC. The outcomes of this study propose a material design approach for DLC coatings that amplifies the effectiveness of lubricant additives in friction reduction.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":806,"journal":{"name":"Tribology Letters","volume":null,"pages":null},"PeriodicalIF":2.9,"publicationDate":"2024-02-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://link.springer.com/content/pdf/10.1007/s11249-024-01829-5.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139773535","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}