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At least 811 records · Page 45

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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↗

DOE OSTI2020

Simulation of emergent compaction banding fronts caused by frictional boundaries

This study examines the role of boundary friction in promoting heterogeneous compaction in soft rock specimens loaded at high confining pressure outside the domain of compaction localisation. An elastoplastic constitutive model characterised by tunable hardening/softening behaviour is used to conduct the analyses. Finite-element simulations suggest that material instability is a non-necessary condition for the emergence of compaction fronts. Such fronts propagated as a result of a severe deviation in the local responses induced by frictional constraints. Overall, these findings suggest that boundary effects can bias the assessment of the extent of the compaction localisation domain. Experimental countermeasures and informed model calibration procedures are therefore necessary to minimise such bias and enable more accurate predictions of soft rock compaction.

42 ENGINEERING↗

DOE OSTI2015

Wall-Friction Support of Vertical Loads in Submerged Sand and Gravel Columns

Laboratory studies of the ‘floor-loads’ under submerged vertical columns of sand and/or gravel indicate that such loads can be approximated by a buoyancy-corrected Janssen-silo-theory-like relationship. Similar to conditions in storage silos filled with dry granular solids, most of the weight of the sand or gravel is supported by wall friction forces. Laboratory measurements of the loads on the floor at the base of the water-filled columns (up to 25-diameters tall) indicate that the extra floor-load from the addition of the granular solid never exceeded the load that would exist under an unsupported (wide) bed of submerged sand or gravel that has a total depth corresponding to only two column-diameters. The measured floorloads reached an asymptotic maximum value when the depth of granular material in the columns was only three or four pipe-diameters, and never increased further as the columns were filled to the top (e.g. up to heights of 10 to 25 diameters). The floor-loads were stable and remained the same for days after filling. Aggressive tapping (e.g. hitting the containing pipe on the outside, manually with a wrench up and down the height and around the circumference) could increase (and occasionally decrease) the floor load substantially, but there was no sudden collapse or slumping to a state without significant wall friction effects. Considerable effort was required, repeatedly tapping over almost the entire column wall periphery, in order to produce floor-loads that corresponded to the total buoyancy-corrected weight of granular material added to the columns. Projecting the observed laboratory behavior to field conditions would imply that a stable floor-load condition, with only a slightly higher total floor pressure than the preexisting hydrostatic-head, would exist after a water-filled bore-hole is filled with sand or gravel. Significant seismic vibration (either a large nearby event or many micro-seismic events over an extended period) would likely be necessary before the full (buoyancy-corrected) weight of the sand and/or gravel would be ‘delivered’ to the bottom of the submerged column.

42 ENGINEERING↗

DOE OSTI2018

Complete Status Report Documenting the Development of Friction Stir Welding for Producing a Butt Joint in Thin Wall Tubing of ODS Alloys

A challenging attempt using friction stir welding to produce a butt joint between two 1.0 mm thick plates of 14YWT was nearly successful. The modified tool pin mostly penetrated the thickness of the adjoined thin plate samples resulting in a small blunt notch on the bottom surface of the butt joint. A bend occurred in the thin plate sample due to formation of stresses from clamping the thin plate sample during FSW. The peak displacement of the bend occurred along the center line of the butt joint. The weld zone showed good microstructure mixing with some flashing mostly on the retreating side that suggested excess heat input by friction between the traveling and spinning tool pin and thin plates of 14YWT. Neutron diffraction experiments were performed on the bent sample of 14YWT to measure the residual stresses in the butt joint on the HB-2B beam line at the Neutron Residual Stress Facility at HFIR. However, the neutron scattering to background noise ratio was very low during data acquisition. Measurements of lattice strains were obtained in the rolling (RD) and normal (ND) directions but not in the extrusion direction (ED) of the thin plate sample. Unfortunately, the quality of the data was not sufficient for determining the residual stresses in the butt joint. From the previous neutron scattering experiments conducted on four hot rolled plates (R1, R2, R3 and R4) of 14YWT, the residual stresses were calculated from lattice strain data and plotted in 2-D color contour maps for ED, RD and ND. The results showed variations in the magnitude and spatial position of residual stresses in the microstructure of the four plates. The magnitude in residual stresses in ED and RD increased gradually with increasing rolling deformation for R1 (50%) to R2 (76%), followed by larger increases in R3 (89%) and R4 (95%). The maximum peaks in residual stresses for R4 was ~710-730 MPa in ED and RD. The residual stresses in ND were below ~300 MPa for each of the 4 rolled plates, with a maximum residual stress in R4 (95%) of ~400 MPa. These results indicated that significant residual stresses representing ~57% of the yield stress of 14YWT (SM13) had accumulated in the 14YWT plate after hot rolling to the 1 mm thickness, which was used in the FSW experiments. The microstructure analysis of the 1.0 mm thick plate of 14YWT containing the butt joint produced by FSW revealed significant changes in the grain structure and texture between the unaffected zone (UZ) of the rolled plate and the butt joint weld. In the UZ, the grains were severely elongated after 95% deformation and mainly possessed the {101} texture component in the ED. Two predominant grain misorientation angles were observed: one consisting of small misorientations of <5º between highly elongated grains and the other consisting of large misorientations of >15º in pockets of small grains that might have formed by dynamic recrystallization processes during rolling of the plate at 1000ºC. The morphology and texture of grains in the heat affected zone (HAZ) were similar to those in UZ, except the grains had coarsened due to excess heat input during FSZ. A population of pores formed and the grains both coarsened and changed to isotropic morphology in the microstructure of the butt joint on both the advancing and retreating sides. The texture of grains in both regions were randomly orientated between the 3 poles {001}, {101} and {111}. The main difference in texture of grains between the advancing side and retreating side was with the misorientation angles of neighboring grains. Most of the grains in the advancing side had misorientation angles of >5º indicating that these grains experienced recrystallization. On the retreating side, areas containing larger grains showed high misorientation angles of >15º compared to areas appearing as bands of grains with misorientation angles of <5º and between 5º-15º. Numerous small pockets of grains with low misorientation angles of <5º were distributed in the microstructure among the grains showing high misorientation angles of >15º. It was determined that the grains associated with low misorientation angles contained sub-grain structures, which was consistent with both recrystallization and recovery mechanisms for grains located on the retreating side of the butt joint. These results demonstrate the complex microstructure that evolves in the microstructure of 14YWT resulting from the input of high temperatures and severe deformations during FSW.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Microstructure and Mechanical Performance of the Friction Stir Welds Made on Neutron-Irradiated Steel with Helium

This report describes new experimental results on the microstructure and mechanical performance of the friction stir welds made on neutron-irradiated steel with helium. The report focuses on helium-related issues, specifically, helium-induced degradation in the welded joint, aiming to repair irradiated components of nuclear power plants (NPPs). The friction stir welds analyzed here were produced at Oak Ridge National Laboratory previously, and limited characterization work was performed, mostly addressing the presence or absence of macroscopic cracks. The present work attempts to perform a more comprehensive study to assess microstructure conditions, grain size, plastic strain gradients, the morphology of the helium-induced damage, and deformation behavior.

42 ENGINEERING↗

DOE OSTI2021

QXF Cold Mass Friction Test

The purpose of this test is to determine the longitudinal force on the stainless steel shell that is required to break the friction between the stainless steel shell and the aluminum shell underneath. This is achieved by suspending the short magnet between two backing plates on the eight grade 8 threaded rods which replace the 8 stainless steel toke tie rods in the magnet assembly. Eight hydraulic cylinders are mounted to each backing plate. Six, 22" sections of the stainless steel shell are welded in place on the magnet, each of which has a slightly different developed length, starting from the baseline design, and becoming progressively looser. A pushing flange is mounted to the stainless steel shells via small tack welds. Four load cells are then attached to the flange at designated points, while additional tooling is attached to each of the cylinders to facilitate the transfer of force from the cylinders to the stainless steel shell During the test, the cylinders will be slowly energized to no more than 7000 psi, with a resultant, longitudinal force on the flange of no more than 125,400 lbf. For each set of shells, the test ends when the load cell monitoring software detects a sharp decrease in force. This will indicate that the friction has broken. The cullenders will then be de-energized and the cycle will repeat for the next test. Welding operations outlined in the procedure (US-HiLumi-doc-4200) are outside the scope of the HA as the work is occurring under a previously-issued burn permit by qualified welders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Comprehensive Characterization of Helium-Induced Degradation of the Friction Stir Weld on Neutron-Irradiated 304L Stainless Steel

The report describes new experimental results on the mechanical performance of the friction stir welds made on neutron-irradiated 304L stainless steel with helium. The report focuses on helium-related issues (e.g., the helium-induced degradation in the welded joint), aiming at the need to repair irradiated components of nuclear power plants. The friction stir welds analyzed here were previously produced at the US Department of Energy’s Oak Ridge National Laboratory, and initial characterization work was performed, mostly addressing the microstructure and if macroscopic cracks and helium bubbles present. The present work attempts to perform a more comprehensive study to assess mechanical performance (i.e., microhardness distribution, tensile properties, tensile deformation behaviors, and fractography analysis).

36 MATERIALS SCIENCE↗

DOE OSTI2024

Subsurface Aggregation of Cationic Friction Reducers: Cause and Prevention

The purpose of this work was to identify the cause of a gelatinous aggregation of friction reducers that was found post-fracturing by RWS operators. RWS sent us samples which we analyzed by scanning electron microscope (SEM). Laboratory experiments were performed to identify the cause of the aggregations and propose a method of preventing them from forming. We concluded that cationic friction reducers were crosslinking with clays, and that this could be prevented by using higher-salinity injection fluid. The results of this study help promote recycling of produced water.

geochemistry↗

DOE OSTI2025

FY25 Cellular Silicone Foam Friction Testing Summary Report

This effort was a collaboration between LANL groups MPA-CINT, E-13, and V-14 to characterize various properties of foam materials for programmatic work. Specifically, MPA-CINT staff members’ contribution to this effort was to perform friction testing of cellular silicone foams of two different porosities with respect to two engineering materials with predefined surface roughnesses. The selected foams (henceforth serving as the sled material interface exposed to motion) had porosities of 67% and 70% with respect to fabricated values. The other materials used in the friction testing measurement couple (static track material) were 304 Stainless Steel (304 SS) and Very High-Temperature Glass-Mica Ceramic, known as Macor®.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Investigation of the Impact of Cross-Polymerization on the Structural and Frictional Properties of Alkylsilane Monolayers Using Molecular Simulation

Cross-linked chemisorbed n-alkylsilane (CH3(CH2)n-1Si(OH)3) monolayers on amorphous silica surfaces have been studied and their structural properties and frictional performance were compared to those of equivalent monolayers without cross-linkages. The simulations isolated for the first time the effects of both siloxane cross-linkages and the fraction of chains chemisorbed to the surface, providing insight into a longstanding fundamental question in the literature regarding molecular-level structure. The results demonstrate that both cross-linkages and the fraction of chemisorbed chains affect monolayer structure in small but measurable ways, particularly for monolayers constructed from short chains; however, these changes do not appear to have a significant impact on frictional performance.

Materials Science molecular dynamics↗