scholarly journals Environmental Molecular Effect on the Macroscale Friction Behaviors of Graphene

2021 ◽  
Vol 9 ◽  
Author(s):  
Panpan Li ◽  
Bo Wang ◽  
Li Ji ◽  
Hongxuan Li ◽  
Lei Chen ◽  
...  
Keyword(s):  
Friction Coefficient ◽  
Microstructural Evolution ◽  
Lone Pair ◽  
Nitrogen Atmosphere ◽  
Layer By Layer ◽  
Friction Behavior ◽  
Sliding Interface ◽  
Lone Pair Electrons ◽  
Shed Light ◽  
Lubricating Properties

This study investigated the friction behavior of graphene in air and nitrogen atmosphere environments. The microstructural evolution caused by the variation of atmosphere environments and its effect on the friction coefficient of the graphene is explored. It is demonstrated that graphene can exhibit excellent lubricating properties both in air and nitrogen atmosphere environments. In air, a highly ordered layer-by-layer slip structure can be formed at the sliding interface. Oxygen and H2O molecules can make edge dangling bonds and defects passive. Thus the interaction between the nanosheets and the layers of nanosheets is weak and the friction coefficient is low (0.06–0.07). While the friction coefficient increases to 0.14–0.15 in a nitrogen atmosphere due to the interaction of defects generated in the sliding process, the nitrogen molecules with lone pair electrons can only make the nanosheets passive to a certain degree, thus the ordered slip structure is destroyed and friction is higher. This work reveals the influence of environmental molecules on the macroscale tribological performances of graphene and its effect on the microstructure at the sliding interface, which could shed light on the lubricating performance of graphene in environmental atmospheres and help us to understand the tribological behaviors of graphite at the macroscale.

EVALUATION OF TRANSFORMED LAYER HARDNESS OF DLC COATING AFTER FRICTION TEST

2016 ◽  
Vol 78 (10-3) ◽  
Author(s):  
Nor Azmmi Masripan ◽  
Yosuke Tsukiyama ◽  
Kenji Ohara ◽  
Noritsugu Umehara ◽  
Hiroyuki Kousaka ◽  
...  
Keyword(s):  
Wear Resistance ◽  
Friction Coefficient ◽  
Boundary Lubrication ◽  
Scratch Test ◽  
Tribological Performance ◽  
Diamond Like Carbon ◽  
Friction Test ◽  
Friction Behavior ◽  
Sliding Interface ◽  
Dlc Coating

Diamond-like carbon (DLC) provide very excellence performance in term of friction coefficient and wear resistance under boundary   lubrication. the  nano characteristic of the transformed  layer has not  been studied  in terms  of its  hardness  which is believed to  have a significant  effect in the tribological  performance. This study presented the scratch test of the DLC transformed layer was obtained from the AFM scratch test that governs the friction behavior of DLC. As a result, the hardness of the DLC transformed layer depends on the oil temperature, where the sliding interface of DLC softened during the friction test due to graphitization process

scholarly journals Relationship between the real contact behavior and tribological characteristics of cotton fabric

Friction ◽  
2020 ◽  
Author(s):  
Rongxin Chen ◽  
Jiaxin Ye ◽  
Wei Zhang ◽  
Jiang Wei ◽  
Yan Zhang ◽  
...  
Keyword(s):  
Friction Coefficient ◽  
Contact Area ◽  
Dynamic Change ◽  
Tribological Characteristics ◽  
Real Contact Area ◽  
Cotton Fibers ◽  
Friction Behavior ◽  
Contact Behavior ◽  
The Real ◽  
Real Contact

Abstract The tribological characteristics of cotton fibers play an important role in engineering and materials science, and real contact behavior is a significant aspect in the friction behavior of cotton fibers. In this study, the tribological characteristics of cotton fibers and their relationship with the real contact behavior are investigated through reciprocating linear tribotesting and real contact analysis. Results show that the friction coefficient decreases with a general increase in load or velocity, and the load and velocity exhibit a co-influence on the friction coefficient. The dynamic change in the real contact area is recorded clearly during the experiments and corresponds to the fluctuations observed in the friction coefficient. Moreover, the friction coefficient is positively correlated with the real contact area based on a quantitative analysis of the evolution of friction behavior and the real contact area at different loads and velocities. This correlation is evident at low velocities and medium load.

Effect of delocalization of nonbonding electron density on the stability of the M–Ccarbene bond in main group metal-imidazol-2-ylidene complexes: a computational and structural database study

2021 ◽  
Vol 0 (0) ◽  
Author(s):  
Samuel Tetteh ◽  
Albert Ofori
Keyword(s):  
Electron Density ◽  
Lone Pair ◽  
Main Group ◽  
Binding Energies ◽  
Electrostatic Model ◽  
Group Metal ◽  
Main Group Metal ◽  
Structural Database ◽  
The Stability ◽  
Lone Pair Electrons

Abstract The M–Ccarbene bond in metal (M) complexes involving the imidazol-2-ylidene (Im) ligand has largely been described using the σ-donor only model with donation of σ electrons from the sp-hybridized orbital of the carbene carbon into vacant orbitals on the metal centre. Analyses of the M–Ccarbene bond in a series of group IA, IIA and IIIA main group metal complexes show that the M-Im interactions are mostly electrostatic with the M–Ccarbene bond distances greater than the sum of the respective covalent radii. Estimation of the binding energies of a series of metal hydride/fluoride/chloride imidazol-2-ylidene complexes revealed that the stability of the M–Ccarbene bond in these complexes is not always commensurate with the σ-only electrostatic model. Further natural bond orbital (NBO) analyses at the DFT/B3LYP level of theory revealed substantial covalency in the M–Ccarbene bond with minor delocalization of electron density from the lone pair electrons on the halide ligands into antibonding molecular orbitals on the Im ligand. Calculation of the thermodynamic stability of the M–Ccarbene bond showed that these interactions are mostly endothermic in the gas phase with reduced entropies giving an overall ΔG > 0.

scholarly journals Long-term stability in γ-CsPbI3 perovskite via an ultraviolet-curable polymer network

2021 ◽  
Vol 2 (1) ◽  
Author(s):  
Nam-Kwang Cho ◽  
Hyun-Jae Na ◽  
Jeeyoung Yoo ◽  
Youn Sang Kim
Keyword(s):  
Polymer Network ◽  
Lone Pair ◽  
Ambient Conditions ◽  
Absorption Properties ◽  
Term Stability ◽  
Long Term Stability ◽  
Ultraviolet Curable ◽  
Oxygen Lone Pair ◽  
Lone Pair Electrons

AbstractBlack-colored (α, γ-phase) CsPbI3 perovskites have a small bandgap and excellent absorption properties in the visible light regime, making them attractive for solar cells. However, their long-term stability in ambient conditions is limited. Here, we demonstrate a strategy to improve structural and electrical long-term stability in γ-CsPbI3 by the use of an ultraviolet-curable polyethylene glycol dimethacrylate (PEGDMA) polymer network. Oxygen lone pair electrons from the PEGDMA are found to capture Cs+ and Pb2+ cations, improving crystal growth of γ-CsPbI3 around PEGDMA. In addition, the PEGDMA polymer network strongly contributes to maintaining the black phase of γ-CsPbI3 for more than 35 days in air, and an optimized perovskite film retained ~90% of its initial electrical properties under red, green, and blue light irradiation.

An improved nonlinear model considering relative velocity for the friction behavior between untwisted glass-fiber tow and roller

2021 ◽  
pp. 004051752110308
Author(s):  
Yang Liu ◽  
Zhong Xiang ◽  
Xiangqin Zhou ◽  
Zhenyu Wu ◽  
Xudong Hu
Keyword(s):  
Friction Coefficient ◽  
Glass Fiber ◽  
Relative Velocity ◽  
Friction Model ◽  
Woven Fabric ◽  
Test Results ◽  
Application Process ◽  
Friction Behavior ◽  
Improved Model

Friction between the tow and tool surface normally happens during the tow production, fabric weaving, and application process and has an important influence on the quality of the woven fabric. Based on this fact, this paper studied the influence of tension and relative velocity on the three kinds of untwisted-glass-fiber tow-on-roller friction with a Capstan-based test setup. Furthermore, an improved nonlinear friction model taking both tension and velocity into account was proposed. According to statistical test results, firstly, the friction coefficient was found to be positively correlated with tension and relative velocity. Secondly, tension and velocity were complementary on the tow-on-roller friction behavior, with neither being superior to the other. Thirdly, an improved model was found to present well the nonlinear characteristics between friction coefficient and tension and velocity, and predicational results of the model were found to agree well with the observations from Capstan tests.

A novel technique for modeling friction behavior in knitted fabric simulation

2017 ◽  
Vol 29 (6) ◽  
pp. 776-792
Author(s):  
Vajiha Mozafary ◽  
Pedram Payvandy
Keyword(s):  
Friction Coefficient ◽  
Uniform Distribution ◽  
Friction Force ◽  
Experimental Result ◽  
Knitted Fabric ◽  
Friction Behavior ◽  
Content Type ◽  
Novel Technique ◽  
Fabric Structure ◽  
Fabric Surface

Purpose Fabric-object friction force is a fundamental factor in cloth simulation. A large number of parameters influence the frictional properties of fabrics such as fabric structure, yarn structure, and inherent properties of component fibers. The purpose of this paper is to propose a novel technique for modeling fabric-object friction force in knitted fabric simulation based on the mass spring model. Design/methodology/approach In this technique, unlike other studies, distribution of friction coefficient over the fabric surface is not uniform and depends on the fabric structure. The main reason for considering non-uniform distribution is that in various segments of fabric, contact percent of fabric-object is different. Findings The proposed technique and common methods based on friction coefficient uniform distribution are used to simulate the frictional behavior of knitted fabrics. The results show that simulation error values for proposed technique and common methods are 2.7 and 9.4 percent as compared with the experimental result, respectively. Originality/value In the existing methods of the friction force modeling, the friction coefficient of fabric is assumed uniform. But this assumption is not correct because fabric does not have an isotropic structure. Thus in this study, the friction coefficient distribution is considered based on fabric structure to achieve more of realistic simulations.

VUV FRAGMENTATION OF SOME HYDROFLUOROCARBON CATIONS STUDIED USING COINCIDENCE TECHNIQUES

2002 ◽  
Vol 09 (01) ◽  
pp. 153-158 ◽  
Author(s):  
WEIDONG ZHOU ◽  
D. P. SECCOMBE ◽  
R. Y. L. CHIM ◽  
R. P. TUCKETT
Keyword(s):  
Kinetic Energy ◽  
Ab Initio ◽  
Ground State ◽  
Lower Energy ◽  
Lone Pair ◽  
Electronic States ◽  
Photoelectron Spectra ◽  
Highest Occupied Molecular Orbital ◽  
Impulsive Model ◽  
Lone Pair Electrons

Threshold photoelectron–photoion coincidence (TPEPICO) spectroscopy has been used to investigate the decay dynamics of the valence electronic states of the parent cation of several hydrofluorocarbons (HFC), based on fluorine-substituted ethane, in the energy range 11–25 eV. We present data for CF 3– CHF 2, CF 3– CH 2 F , CF 3– CH 3 and CHF 2– CH 3. The threshold photoelectron spectra (TPES) of these molecules show a common feature of a broad, relatively weak ground state, associated with electron removal from the highest-occupied molecular orbital (HOMO) having mainly C–C σ-bonding character. Adiabatic and vertical ionisation energies for the HOMO of the four HFCs are presented, together with corresponding values from ab initio calculations. For those lower-energy molecular orbitals associated with non-bonding fluorine 2pπ lone pair electrons, these electronic states of the HFC cation decay impulsively by C–F bond fission with considerable release of translational kinetic energy. Appearance energies are presented for formation of the daughter cation formed by such a process (e.g. CF 3– CHF +), together with ab initio energies of the corresponding dissociation channel (e.g. CF 3– CHF + + F ). Values for the translational kinetic energy released are compared with the predictions of a pure-impulsive model.

The molecular orbital theory of chemical valency. V. The structure of water and similar molecules

1950 ◽  
Vol 202 (1070) ◽  
pp. 323-336 ◽  
Keyword(s):  
Spatial Distribution ◽  
Equilibrium Configuration ◽  
Bond Angle ◽  
Lone Pair ◽  
Orbital Theory ◽  
Hydrogen Atoms ◽  
Molecular Formation ◽  
Major Factors ◽  
Lone Pair Electrons ◽  
Electrostatic Repulsions

The theory of molecular and equivalent orbitals developed in previous papers of this series is used to discuss the spatial distribution of lone-pair electrons in molecules such as H 2 O and NH 3 and the part they play in determining the equilibrium configuration. Previous treatments of H 2 O have assumed that the lone pairs are essentially unaltered by molecular formation. It is shown here, on the other hand, that they will be displaced so as to be mainly concentrated on the side of the O-nucleus remote from the hydrogen atoms. An important consequence of this is that the lone-pair electrons will make a contribution to the total dipole moment. Comparison of the experimentally observed moment with an approximate quantitative treatment suggests that, as a result of this, transfer of electrons from the hydrogen atoms to the oxygen does not occur to the extent that has previously been believed. The variation of the spatial distribution of the orbitals of H 2 O with changes of nuclear configuration is examined and it is shown that, in the equilibrium position, the electronic structure can be described approximately by two sets of two equivalent orbitals pointing in nearly tetrahedral directions. The dependence of total energy on bond angle is discussed and it is shown that electrostatic repulsions between the equivalent orbitals are major factors in determining the equilibrium configuration. Similar considerations apply to NH 3 .

p-Type conductivity of GeTe: The role of lone-pair electrons

2012 ◽  
Vol 249 (10) ◽  
pp. 1902-1906 ◽  
Author(s):  
Alexander V. Kolobov ◽  
Paul Fons ◽  
Junji Tominaga
Keyword(s):  
Lone Pair ◽  
Type Conductivity ◽  
P Type ◽  
Lone Pair Electrons

Numerical Investigation of Size Effect on Dry Friction Behavior in Micro Upsetting Process

2014 ◽  
Vol 997 ◽  
pp. 321-324
Author(s):  
Wei Zheng ◽  
Guang Chun Wang ◽  
Bing Tao Tang ◽  
Xiao Juan Lin ◽  
Yan Zhi Sun
Keyword(s):  
Friction Coefficient ◽  
Size Effect ◽  
Dry Friction ◽  
Normal Pressure ◽  
Friction Model ◽  
Strain Hardening Exponent ◽  
Forming Process ◽  
Friction Behavior ◽  
Initial Yield Stress ◽  
Coulomb’S Friction

After modifying the Wahime/Bay friction model, a new friction model suitable for micro-forming process without lubrication is established. In this model, it is shows that the friction coefficient is a function of strain hardening exponent, the normal pressure and the initial yield stress of material. Based on the experimental data, the micro-upsetting process is simulated using the proposed friction model. The simulation results are used to investigate the size effect on the dry friction behavior. It is found that the Coulomb’s friction coefficient is dropping with miniaturization of specimens when the amount of reduction is not too large.

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