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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Vibrational lifetimes of hydrogen on lead films: An ab initio molecular dynamics with electronic friction (AIMDEF) study

Using density functional theory and Ab Initio Molecular Dynamics with Electronic Friction (AIMDEF), we study the adsorption and dissipative vibrational dynamics of hydrogen atoms chemisorbed on free-standing lead films of increasing thickness. Lead films are known for their oscillatory behaviour of certain properties with increasing thickness, e.g., energy and electron spillout change in discontinuous manner, due to quantum size effects [G. Materzanini, P. Saalfrank, and P. J. D. Lindan, Phys. Rev. B 63, 235405 (2001)]. Here, we demonstrate that oscillatory features arise also for hydrogen when chemisorbed on lead films. Besides stationary properties of the adsorbate, we concentrate on finite vibrational lifetimes of H-surface vibrations. As shown by AIMDEF, the damping via vibration-electron hole pair coupling dominates clearly over the vibration-phonon channel, in particular for high-frequency modes. Vibrational relaxation times are a characteristic function of layer thickness due to the oscillating behaviour of the embedding surface electronic density. Implications derived from AIMDEF for frictional many-atom dynamics, and physisorbed species will also be given.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Influence of neutral pressure on instability enhanced friction and ion velocities at the sheath edge of two-ion-species plasmas

The Instability Enhanced Friction theory [Baalrud et al., Phys. Rev. Lett. 103, 205002 (2009)] is extended to account for the influence of neutral pressure in predicting the flow speed of each ion species at the sheath edge of plasmas containing two ion species. Particle-in-cell simulations show that the theory accurately predicts both the neutral pressure cutoff of ion-ion two-stream instabilities and the ion flow speeds at the sheath edge as pressure is varied over several orders of magnitude. The simulations are used to directly calculate the instability-enhanced ion-ion friction force. Finally, at sufficiently high neutral pressure, the simulations also provide evidence for collisional modifications to the Bohm criterion

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Analytical modeling and simulation of electrical contact resistance for elastic rough electrode surface contact including frictional temperature rise

An improved electrical contact resistance (ECR) model for elastic rough electrode contact is proposed, incorporating the effects of asperity interactions and temperature rise by frictional and joule heating. The analytical simulation results show that the ECR decreases steeply at the beginning of the contact between Al and Cu. However, it becomes stabilized after reaching a specific contact force. It is also found that the longer elapsed sliding contact time, the higher ECR due to the increase in electrical resistivity of electrode materials by the frictional temperature rise at the interface. The effects of surface roughness parameters on ECR are studied through the 3 2 full-factorial design-of-experiment analysis. Based on the two representative roughness parameters, i.e., root-mean-square (rms) roughness and asperity radius, their individual and coupled effects on the saturated ECR are examined. The saturated ECR increases with the rms roughness for a rough machined surface condition, but it is hardly affected by the asperity radius. On the other hand, the saturated ECR increases with both the rms roughness and the asperity radius under a smooth thin film surface condition.

42 ENGINEERING↗
DOE OSTI2024

A theory of phonon-induced friction on molecular adsorbates

In this manuscript, we provide a general theory for how surface phonons couple to molecular adsorbates. Our theory maps the extended dynamics of a surface’s atomic vibrational motions to a generalized Langevin equation, and by doing so captures these dynamics in a single quantity: the non-Markovian friction. The different frequency components of this friction are the phonon modes of the surface slab weighted by their coupling to the adsorbate degrees of freedom. Using this formalism, we demonstrate that physisorbed species couple primarily to acoustic phonons while chemisorbed species couple to dispersionless local vibrations. We subsequently derive equations for phonon-adjusted reaction rates using transition state theory and demonstrate that these corrections improve agreement with experimental results for CO desorption rates from Pt(111).

Science & Technology - Other Topics↗
DOE OSTI2014

Dynamical friction in multi-component evolving globular clusters

We use the Chandrasekhar formalism and direct N-body simulations to study the effect of dynamical friction on a test object only slightly more massive than the field stars, orbiting a spherically symmetric background of particles with a mass spectrum. The main goal is to verify whether the dynamical friction time (t {sub DF}) develops a non-monotonic radial dependence that could explain the bimodality of the blue straggler radial distributions observed in globular clusters. In these systems, in fact, relaxation effects lead to a mass and velocity radial segregation of the different mass components, so that mass-spectrum effects on t {sub DF} are expected to be dependent on radius. We find that in spite of the presence of different masses, t {sub DF} is always a monotonic function of radius, at all evolutionary times and independently of the initial concentration of the simulated cluster. This is because the radial dependence of t {sub DF} is largely dominated by the total mass density profile of the background stars (which is monotonically decreasing with radius). Hence, a progressive temporal erosion of the blue straggler star (BSS) population at larger and larger distances from the cluster center remains the simplest and the most likely explanation of the shape of the observed BSS radial distributions, as suggested in previous works. We also confirm the theoretical expectation that approximating a multi-mass globular cluster as made of (averaged) equal-mass stars can lead to significant overestimations of t {sub DF} within the half-mass radius.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Friction in a strongly magnetized neutral plasma

A charged projectile generates an electrostatic wake as it moves through a background plasma. This wake normally gives rise to a drag force that acts antiparallel to the velocity vector of the projectile, and is commonly referred to as the stopping power. A recent theory predicted that an additional component of the friction force that is perpendicular to both the projectile velocity and the Lorentz force arises when a plasma is strongly magnetized. We extend the previous analysis of this transverse friction force, which was based on the one-component plasma model, to treat a two-component charge-neutral electron-ion plasma. The direction and magnitude of the transverse force is found to depend on the projectile speed relative to the electron and ion thermal velocities, and to change sign three times. For projectile speeds below a certain threshold, the transverse force is dominated by collisions with ions, while above this threshold, only electron collisions contribute. Here, the average trajectory of the projectile is significantly altered by the transverse force as it slows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Strong interplay between superluminosity and radiation friction during direct laser acceleration

Using a test-particle model, we examine direct laser acceleration of electrons within a magnetic filament that has been shown to form inside a laser-irradiated plasma. We focus on ultra-high intensity interactions where the force of radiation friction caused by electron emission of electromagnetic radiation must be taken into account. It is shown that even relatively weak superluminosity of laser wave fronts—the feature that has been previously neglected—qualitatively changes the electron dynamics, leading to a so-called attractor effect. As a result of this effect, electrons with various initial energies reach roughly the same maximum energy and emit roughly the same power in the form of x-rays and gamma-rays. Our analysis implies that the primary cause of the superluminosity is the laser-heated plasma. The discovered strong interplay between superluminosity and radiation friction is of direct relevance to laser-plasma interactions at high-intensity multi-PW laser facilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The effect of non-linear mutual friction on pulsar glitch sizes and rise times

ABSTRACT Observations of pulsar glitches have the potential to provide constraints on the dynamics of the high density interior of neutron stars. However, to do so, realistic glitch models must be constructed and compared to the data. We take a step towards this goal by testing non-linear models for the mutual friction force, which is responsible for the exchange of angular momentum between the neutron superfluid and the observable normal component in a glitch. In particular, we consider a non-linear dependence of the drag force on the relative velocity between superfluid vortices and the normal component, in which the contributions of both kelvin and phonon excitations are included. This non-linear model produces qualitatively new features, and is able to reproduce the observed bimodal distribution of glitch sizes in the pulsar population. The model also suggests that the differences in size distributions in individual pulsars may be due to the glitches being triggered in regions with different pinning strengths, as stronger pinning leads to higher vortex velocities and a qualitatively different mutual friction coupling with respect to the weak pinning case. Glitches in pulsars that appear to glitch quasi-periodically with similar sizes may thus be due to the same mechanisms as smaller events in pulsars that have no preferred glitch size, but simply originate in stronger pinning regions, possibly in the core of the star.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Quantum friction in two-dimensional topological materials

In this paper, we develop the theory of quantum friction in two-dimensional topological materials. The quantum drag force on a metallic nanoparticle moving above such systems is sensitive to the nontrivial topology of their electronic phases, shows a novel distance scaling law, and can be manipulated through doping or via the application of external fields. We use the developed framework to investigate quantum friction due to the quantum Hall effect in magnetic field biased graphene, and to topological phase transitions in the graphene family materials. Finally, it is shown that topologically nontrivial states in two-dimensional materials enable an increase of two orders of magnitude in the quantum drag force with respect to conventional neutral graphene systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Calculation of electron-ion temperature equilibration rates and friction coefficients in plasmas and liquid metals using quantum molecular dynamics

In this work, we discuss a method to calculate with quantum molecular dynamics simulations the rate of energy exchanges between electrons and ions in two-temperature plasmas, liquid metals, and hot solids. Promising results from this method were recently reported for various materials and physical conditions. Like other ab initio calculations, the approach offers a very useful comparison with the experimental measurements and permits an extension into conditions not covered by the experiments. The energy relaxation rate is related to the friction coefficients felt by individual ions due to their nonadiabatic interactions with electrons. Each coefficient satisfies a Kubo relation given by the time integral of the autocorrelation function of the interaction force between an ion and the electrons. These Kubo relations are evaluated using the output of quantum molecular dynamics calculations in which electrons are treated in the framework of finite-temperature density functional theory. The calculation presents difficulties that are unlike those encountered with the Kubo formulas for the electrical and thermal conductivities. In particular, the widely used Kubo-Greenwood approximation is inapplicable here. Indeed, the friction coefficients and the energy relaxation rate diverge in this approximation since it does not properly account for the electronic screening of electron-ion interactions. The inclusion of screening effects considerably complicates the calculations. We discuss the physically motivated approximations we applied to deal with these complications in order to investigate a widest range of materials and physical conditions. Unlike the standard method used for the electronic conductivities, the Kubo formulas are evaluated directly in the time domain and not in the energy domain, which spares one from needing to introduce an extraneous undetermined numerical parameter to account for the discrete character of the numerical density of states. We highlight interesting properties of the energy relaxation rate not shared by other electronic properties, in particular its self-averaging character. We then present a detailed parametric and convergence study with the numerical parameters, including the system size, the number of bands and k-points, and the physical approximations for the dielectric function and the exchange-correlation energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Friction force in strongly magnetized plasmas

A charged particle moving through a plasma experiences a friction force that commonly acts antiparallel to its velocity. It was recently predicted that in strongly magnetized plasmas, in which the plasma particle gyrofrequency exceeds the plasma frequency, the friction also includes a transverse component that is perpendicular to both the velocity and Lorentz force. Here, this prediction is confirmed using molecular-dynamics simulations, and it is shown that the relative magnitude of the transverse component increases with plasma coupling strength. Furthermore, this result influences single-particle motion and macroscopic transport in strongly magnetized plasmas found in a broad range of applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Dynamic induced softening in frictional granular materials investigated by discrete-element-method simulation

A granular system composed of frictional glass beads is simulated here using the discrete element method. The intergrain forces are based on the Hertz contact law in the normal direction with frictional tangential force. The damping due to collision is also accounted for. Systems are loaded at various stresses and their quasistatic elastic moduli are characterized. Each system is subjected to an extensive dynamic testing protocol by measuring the resonant response to a broad range of ac drive amplitudes and frequencies via a set of diagnostic strains. The system, linear at small ac drive amplitudes, has resonance frequencies that shift downward (i.e., modulus softening) with increased ac drive amplitude. Detailed testing shows that the slipping contact ratio does not contribute significantly to this dynamic modulus softening, but the coordination number is strongly correlated to this reduction. This suggests that the softening arises from the extended structural change via break and remake of contacts during the rearrangement of bead positions driven by the ac amplitude.

58 GEOSCIENCES↗
DOE OSTI2023

Rheology of concentrated fiber suspensions with a load-dependent friction coefficient

Here we investigate the effects of fiber aspect ratio, roughness, flexibility, and volume fraction on the rheology of concentrated suspensions in a steady shear flow using direct numerical simulations. We model the fibers as inextensible continuous flexible slender bodies with the Euler-Bernoulli beam equation governing their dynamics suspended in an incompressible Newtonian fluid. The fiber dynamics and fluid flow coupling is achieved using the immersed boundary method. In addition, the fiber surface roughness might lead to interfiber contacts, resulting in normal and tangential forces between the fibers, which follow Coulomb’s law of friction. The surface roughness is modeled as hemispherical protrusions on the fiber surfaces. Their deformation results in a normal load-dependent friction coefficient. Our simulations accurately predict the experimentally observed shear thinning in fiber suspensions. Furthermore, we find that the suspension viscosity η increases with increasing the volume fraction, roughness, fiber rigidity, and aspect ratio. The increase in η is the macroscopic manifestation of a similar increase in the microscopic contact contribution to the total stress with these parameters. In addition, we observe positive and negative first N 1 and second N 2 normal stress differences, respectively, with |N 2 | < |N 1 |, in agreement with previous experiments. Last, we propose a modified Maron-Pierce law to quantify the reduction in the jamming volume fraction by increasing the fiber aspect ratio and roughness. Our results and analysis establish the use of fiber surface tribology to tune the suspension flow behavior.

42 ENGINEERING↗
DOE OSTI2016

Failure of local thermal equilibrium in quantum friction

Recent progress in manipulating atomic and condensed matter systems has instigated a surge of interest in nonequilibrium physics, including many-body dynamics of trapped ultracold atoms and ions, near-field radiative heat transfer, and quantum friction. Under most circumstances the complexity of such nonequilibrium systems requires a number of approximations to make theoretical descriptions tractable. In particular, it is often assumed that spatially separated components of a system thermalize with their immediate surroundings, although the global state of the system is out of equilibrium. This powerful assumption reduces the complexity of nonequilibrium systems to the local application of well-founded equilibrium concepts. While this technique appears to be consistent for the description of some phenomena, we show that it fails for quantum friction by underestimating by approximately 80% the magnitude of the drag force. Here, our results show that the correlations among the components of driven, but steady-state, quantum systems invalidate the assumption of local thermal equilibrium, calling for a critical reexamination of this approach for describing the physics of nonequilibrium systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Quantum Rolling Friction

An atom moving in a vacuum at constant velocity and parallel to a surface experiences a frictional force induced by the dissipative interaction with the quantum fluctuations of the electromagnetic field. We show that the combination of nonequilibrium dynamics, the anomalous Doppler effect, and spin-momentum locking of light mediates an intriguing interplay between the atom’s translational and rotational motion. In turn, this deeply affects the drag force in a way that is reminiscent of classical rolling friction. Our fully non-Markovian and nonequilibrium description reveals counterintuitive features characterizing the atom’s velocity-dependent rotational dynamics. Finally, these results prompt interesting directions for tuning the interaction and for investigating nonequilibrium dynamics as well as the properties of confined light.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

Bio-derived Fuel Blend Dilution of Marine Engine Oil and Imapct on Friction and Wear Behavior

To reduce the amount of petroleum-derived fuel used in vehicles and vessels powered by internal combustion engines, the addition of bio-derived fuel extenders is a common practice. Ethanol is perhaps the most common bio-derived fuel used for blending, and butanol is being evaluated as a promising alternative. The present study determined the fuel dilution rate of three lubricating oils (E0, E10, and i-B16) in a marine engine operating in on-water conditions with a start-and-stop cycle protocol. The level of fuel dilution increased with the number of cycles for all three fuels. The most dilution was observed with i-B16 fuel, and the least with E10 fuel. In all cases, fuel dilution substantially reduced the oil viscosity. The impacts of fuel dilution and the consequent viscosity reduction on the lubricating capability of the engine oil in terms of friction, wear, and scuffing prevention were evaluated by four different tests protocols. Although the fuel dilution of the engine oil had minimal effect on friction, because the test conditions were under the boundary lubrication regime, significant effects were observed on wear in many cases. Fuel dilution also was observed to reduce the load-carrying capacity of the engine oils in terms of scuffing load reduction.

Ajayi, Oyelayo O.↗
DOE OSTI2019

FRICTION STIR WELDING AND PRELIMINARY CHARACTERIZATION OF IRRADIATED 304 STAINLESS STEEL

The mitigation of helium induced cracking in the heat affected zone (HAZ), a transition metallurgical zone between the weld zone and base metal, during repair welding is a great challenge in nuclear industry. Successful traditional fusion welding repairs are limited to metals with a maximum of a couple of atomic parts per million (appm) helium, and structural materials helium levels in operating nuclear power plants are generally exceed a couple of appm after years of operations. Therefore, fusion welding is very limited in nuclear power plants structural materials repairing. Friction stir welding (FSW) is a solid-state joining technology that reduces the drivers (temperature and tensile residual stress) for helium-induced cracking. This paper will detail initial procedural development of FSW weld trials on irradiated 304L stainless steel (304L SS) coupons utilizing a unique welding facility located at one of Oak Ridge National Laboratory’s hot cell facilities. The successful early results of FSW of an irradiated 304L SS coupon containing high helium are discussed. Helium induced cracking was not observed by scanning electron microscopy in the friction stir weld zone and the metallurgical zones between the weld zone and base metal, i.e. thermal mechanical affected zone (TMAZ) and HAZ. Characterization of the weld, TMAZ and HAZ regions are detailed in this paper.

Tang, Wei↗
DOE OSTI2017

Experimental Evaluation of Oxide Nanoparticles as Friction and Wear Improvement Additives in Motor Oil

The effect of two nanoparticle oxides on friction and wear was studied under laboratory test conditions using a reciprocating test machine and two test configurations. The addition of these nanoparticles in base stock oil under certain conditions reduced the coefficient of friction and improved wear, but that depended on the test configuration. Examination of the rubbed surfaces showed the pronounced formation of a tribofilm in some cases, while polishing on the surface was also observed in other cases. Contact configuration is important when oxide nanoparticles are being evaluated and the conclusions about their efficacy can be vastly different.

77 NANOSCIENCE AND NANOTECHNOLOGY↗