SEARCH · Search NASA

Results for “Contact prediction”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3

All sources NASA NTRS DOE OSTI

NASA NTRS1997

Prediction of human gait parameters from temporal measures of foot-ground contact

Investigation of the influence of human physical activity on bone functional adaptation requires long-term histories of gait-related ground reaction force (GRF). Towards a simpler portable GRF measurement, we hypothesized that: 1) the reciprocal of foot-ground contact time (1/tc); or 2) the reciprocal of stride-period-normalized contact time (T/tc) predict peak vertical and horizontal GRF, loading rates, and horizontal speed during gait. GRF data were collected from 24 subjects while they walked and ran at a variety of speeds. Linear regression and ANCOVA determined the dependence of gait parameters on 1/tc and T/tc, and prediction SE. All parameters were significantly correlated to 1/tc and T/tc. The closest pooled relationship existed between peak running vertical GRF and T/tc (r2 = 0.896; SE = 3.6%) and improved with subject-specific regression (r2 = 0.970; SE = 2.2%). We conclude that temporal measures can predict force parameters of gait and may represent an alternative to direct GRF measurements for determining daily histories of habitual lower limb loading quantities necessary to quantify a bone remodeling stimulus.

NASA Center ARC↗

NASA NTRS1973

Development of mainshaft seals for advanced air breathing propulsion systems

A gas-film face seal design incorporating shrouded Rayleigh step lift pads at the primary sealing face was analyzed for performance over a wide range of gas turbine engine conditions. Acceptable leakage rates and operation without rubbing contact was predicted for engine conditions that included sealed pressures to 500 psi, sliding speeds to 600 ft/sec, and sealed gas temperatures to 1200 F. In the experimental evaluation, measured gas leakage rates were, in general, close to that predicted and sometimes lower. Satisfactory performance of the gas-film seal was demonstrated at the maximum seal seat axial runout expected in present positive contact face seal applications. Stable operation was shown when testing was performed with air-entrained dirt.

Dobek, L. J.↗

DOE OSTI2025

Wettability of Two-Dimensional Carbon Allotropes from Molecular Simulations

Force-field Monte Carlo and Molecular Dynamics simulations are used to compare wetting behaviors of model carbon sheets mimicking neat graphene, its saturated derivative, graphane, and related planar allotropes penta-graphene, γ-graphyne, and ψ-graphene in contact with aqueous droplets or an aqueous film confined between parallel carbon sheets. Atomistic and area-integrated surface/water potentials are found to be essentially equivalent in capturing moderate differences between the wetting free energies of tested substrates. Despite notable differences in mechanical and electric properties of distinct allotropes, the predicted allotrope/water contact angles span a narrow window of weakly hydrophilic values. Contact angles in the range of 80 ± 10° indicate modest hydration repulsion incapable of competing with van der Waals attraction between carbon particles. Poor dispersibility in neat water is hence a common feature of studied materials.

Biochemistry & Molecular Biology↗

DOE OSTI2020

Bottom-Up Meets Top-Down: The Crossroads of Multiscale Chromatin Modeling

Chromatin can be viewed as a hierarchically structured fiber that regulates gene expression. It consists of a complex network of DNA and proteins whose characteristic dynamical modes facilitate compaction and rearrangement in the cell nucleus. These modes stem from chromatin's fundamental unit, the nucleosome, and their effects are propagated across length scales. Understanding the effects of nucleosome dynamics on the chromatin fiber, primarily through post-translational modifications that occur on the histones, is of central importance to epigenetics. Within the last decade, imaging and chromosome conformation capture techniques have revealed a number of structural and statistical features of the packaged chromatin fiber at a hitherto unavailable level of resolution. Such experiments have led to increased efforts to develop polymer models that aim to reproduce, explain, and predict the contact probability scaling and density heterogeneity. At nanometer scales, available models have focused on the role of the nucleosome and epigenetic marks on local chromatin structure. At micrometer scales, existing models have sought to explain scaling laws and density heterogeneity. Less work, however, has been done to reconcile these two approaches: bottom-up and top-down models of chromatin. Here, we highlight the multiscale simulation models that are driving toward an understanding of chromatin structure and function, from the nanometer to the micron scale, and we highlight areas of opportunity and some of the prospects for new frameworks that bridge these two scales. Taken together, experimental and modeling advances over the last few years have established a robust platform for the study of chromatin fiber structure and dynamics, which will be of considerable use to the chromatin community in developing an understanding of the interplay between epigenomic regulation and molecular structure.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Elucidating and contrasting the mechanisms for Mg and Ca sulfate ion-pair formation with multi-level embedded quantum mechanics/molecular dynamics simulations

Here, solutions and minerals containing sulfate (SO 4 2- ), and Ca 2+ and Mg 2+ cations, are ubiquitous throughout the lithosphere and are significant components of seawater, thus presenting a prototypical system for the study of strong electrolytes and crystal nucleation mechanisms. However, despite their relative abundance, key questions remain unanswered about the most fundamental atomic-level steps of their mineralization pathways and aqueous dynamics. Here, we carry out enhanced sampling multi-level molecular dynamics (MD) embedded correlated wavefunction theory simulations to elucidate ion-pairing mechanisms for Mg–SO 4 and Ca–SO 4 in concentrated aqueous solution, accurately capturing effects arising from both structural dynamics and electron exchange–correlation. We predict contact-ion-pair formation to be barrierless and highly exoergic for Ca–SO 4 , in agreement with its minimal solubility, whereas for Mg–SO 4 , solvent-shared and contact ion pairs have similar free energies, qualitatively consistent with its higher solubility. Finally, we demonstrate that brief high-temperature pre-equilibration may be utilized to accelerate convergence of free energies in blue-moon-ensemble enhanced-sampling MD.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1978

Investigations of lubricant rheology as applied to elastohydrodynamic lubrication

Measurements of lubricant shear rheological behavior in the amorphous solid region and near the liquid-solid transition are reported. Elastic, plastic and viscous behavior was observed. A shear rheological model based on primary laboratory data is proposed for concentrated contact lubrication. The model is a Maxwell model modified with a limiting shear stress. Three material properties are required: low shear stress viscosity, limiting elastic shear modulus, and the limiting shear stress the material can withstand. All three are functions of temperature and pressure. In applying the model to EHD contacts the predicted response possesses the characteristics expected from several experiments reported in the literature.

Bair, S.↗

NASA NTRS1979

A rheological model for elastohydrodynamic contacts based on primary laboratory data

A shear rheological model based on primary laboratory data is proposed for concentrated contact lubrication. The model is a Maxwell model modified with a limiting shear stress. Three material properties are required: Low shear stress viscosity, limiting elastic shear modulus, and the limiting shear stress the material can withstand. All three are functions of temperature and pressure. In applying the model to EHD contacts the predicted response possesses the characteristics expected from several experiments reported in the literature and, in one specific case where direct comparison could be made, good numerical agreement is shown.

Bair, S.↗

NASA NTRS2003

Evolutionary, structural and biochemical evidence for a new interaction site of the leptin obesity protein

The Leptin protein is central to the regulation of energy metabolism in mammals. By integrating evolutionary, structural, and biochemical information, a surface segment, outside of its known receptor contacts, is predicted as a second interaction site that may help to further define its roles in energy balance and its functional differences between humans and other mammals.

Evolution, Molecular↗

DOE OSTI2020

Photon induced $K\Lambda $ production on the proton at $E_{\gamma} < 3$ GeV

The associated photoproduction of $K\Lambda$ from the proton for $E_{\gamma} < 3$ GeV is studied using an isobar model in which the non-resonant contributions corresponding to $s$, $t$, $u$ channel diagrams are obtained from a non-linear sigma model with chiral SU(3) symmetry. The model also predicts a contact term and its coupling strength in a natural way to preserve gauge symmetry. The parameters used are the pion decay constant $f_{\pi}$, vector and axial vector current couplings of the baryon octet in terms of the symmetric and antisymmetric couplings $D$ and $F$. In the non-resonant sector, the model is almost parameter free except a common cut-off parameter $\Lambda_{B}$, to describe the hadronic form factors at the strong kaon-nucleon-hyperon($KN\Lambda$) vertices. In the resonance sector, contribution from the various nucleon resonances($R$) in the $s$ channel, hyperon resonances($Y^{*}$) in the $u$ channel, and the kaon resonances($K^{*}$ and $K_{1}$) in the $t$ channel, which are present in the PDG having spin $\le \frac{3}{2}$ and mass $<2$ GeV with significant branching ratio in $K\Lambda$ decay mode have been considered. In the case of the nucleon resonances($R$), the couplings $\gamma NR$ at the electromagnetic vertices are determined in terms of the helicity amplitudes and the $RK\Lambda$ couplings at the strong vertices are determined by the partial decay width of the resonances($R$) decaying to $K\Lambda$. The strong and the electromagnetic couplings of $u$ and $t$ channel resonances are fitted to reproduce the experimental data of CLAS and SAPHIR. The numerical results are presented for the total and differential scattering cross sections and are compared with the available experimental data from CLAS and SAPHIR as well as with some of the recent theoretical models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Characterization and prediction of the electromechanical wear of contact tips during wire arc additive manufacturing of 316L stainless steel

Here, this study seeks to better understand the degradation of the contact tip with respect to WAAM for a 316L wire electrode as well as explore methods of monitoring the contact tip state from process data. The contact tip, a consumable component, positions the wire and serves as the electrical contact surface between the wire electrode and the welding power supply. The wear of the contact tip was characterized in terms of material loss and material contamination for a set of tips worn to discrete levels as measured by the amount of wire fed or arc time. Geometrical characterization found a 49% increase in the bore exit area at 180 meters of wire fed. Machine learning models were developed to predict the relative bore exit area of the contact tip from arc-based process data and a random forest classifier exhibited favorable performance with a cross-validated f1-score of 0.84. The regression architecture implemented a multi-layer perceptron with the ability to predict the relative exit area with an $R^2$ score of 0.75. Key features used in the prediction include the standard deviation of the voltage and the time between shorts.

Contact tip wear↗

NASA NTRS1995

Advances in reduction techniques for tire contact problems

Some recent developments in reduction techniques, as applied to predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities, are reviewed. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of reduction techniques, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface. Also, the research topics which have high potential for enhancing the effectiveness of reduction techniques are outlined.

Noor, Ahmed K.↗

DOE OSTI2024

Surface Wettability Analysis from Adsorption Energy and Surface Electrical Charge

Surface wettability is determined by the attraction of a liquid phase to a solid surface. It is typically quantified by using contact angle measurements at mineral surfaces in the case of the flotation of mineral particles. Contact angle research to describe wettability has been investigated at different scales by sessile drop measurements, molecular dynamic simulation, and atomic force microscopy. In this study, the density functional theory (DFT) was employed for predicting the surface free energy and contact angles of a well-known hydrophobic phyllosilicate mineral talc and a well-known hydrophilic phyllosilicate mineral muscovite based on the calculated interfacial energy and surface charge. The results revealed that the predicted contact angle at the atomic scale was larger than the experimental value, and identified two interactions: electrostatic interaction and hydrogen bonding, between the hydrophilic muscovite surface and the water layer, while a water-exclusion zone of 3.346 Å was found between the hydrophobic talc surface and the first water layer. This investigation gives a new perspective for wettability determination at the atomic scale.

Geochemistry & Geophysics↗

NASA NTRS1995

Reduction technique for tire contact problems

A reduction technique and a computational procedure are presented for predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of the reduction technique, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface.

Noor, Ahmed K.↗

NASA NTRS1973

A study of the dynamic tire properties over a range of tire constructions

The dynamic properties of four model aircraft tires of various construction were evaluated experimentally and compared with available theory. The experimental investigation consisted of measuring the cornering force and the self-aligning torque developed by the tires undergoing sinusoidal steering inputs while operating on a small scale, road-wheel tire testing apparatus. The force and moment data from the different tires are compared with both finite- and point-contact patch string theory predictions. In general, agreement between finite contact patch theory and experimental observation is good. A modified string theory is also presented in which coefficients for cornering force and self-aligning torque are determined separately. This theory improves the correspondence between the experimental and analytical data, particularly on tires with relatively high self-aligning torques.

Nybakken, G. H.↗

DOE OSTI2023

Load-Displacement Relation and Gap Distribution Between Rough Surfaces: Partial Differential Equations Approach

We develop a theoretical model to predict the load-displacement relation and probability density function for gaps between contacting rough surfaces. We derive partial differential equations from the previous model (Joe et al., 2018), and extend them to the non-adhesive contact problem. The predictions of the present theory are compared with numerical results using the Green's function molecular dynamics algorithm, and a good agreement is obtained.

adhesion↗

NASA NTRS1985

Thermal traction contact performance evaluation under fully flooded and starved conditions

Ultra high speed traction tests were performed on two traction fluids commonly employed. Traction data on these fluids is required for purposes of traction drive design optimization techniques. To obtain the traction data, an existing twin disc traction test machine was employed. This machine was modified to accommodate the range of test variables. All the data reported was obtained under conditions of side slip, a technique whereby only low power levels are required to simulate real traction drive contacts. Theoretical traction predictions were performed for a representative number of curves that showed the influence of rolling velocity, of contact pressure and of aspect ratio. To establish the accuracy of the thermal model the predictions were performed ith increasing levels of independence of experimentally determined parameters. In the final resulting prediction only two non linear thermal parameters were used for the prediction of 15 different traction curves covering the entire range of variables as used in the investigation, with the exception of the influence of asperity traction. Comparison of these theoretical curves and corresponding experimental traces show very good agreement.

Tevaarwerk, J. L.↗

DOE OSTI2024

Deep Learning Prediction of Protein Complex Structures

Proteins interact to form protein complex to carry out biological functions such as catalytic chemical reaction. Therefore, it is important to develop computational methods to predict protein-protein interaction and the structures of protein complexes to study and enhance protein function. In this project, we successfully developed several deep learning methods to predict inter-protein contacts and the reinforcement learning and optimization methods to reconstruct protein complex structures from predicted inter-chain contacts. The methods were integrated with the MULTICOM protein complex structure prediction system and applied to predict the complex structures of biomass production-related proteins of green algae. During the two and a half years of research and development, all the specific milestones of the project were achieved successfully. 16 publications/manuscripts were produced. 10 software tools were developed. A patent application was submitted. Our MULTICOM predictors leveraging some tools developed in this project were ranked among the top predictors in the 15th Critical Assessment of Techniques for Protein Structure Prediction (CASP15) in 2022.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1987

Flexibility effects on tooth contact location in spiral bevel gear transmissions

An analytical method to predict the shift of the contact ellipse between the meshing teeth in a spiral bevel gear set is presented in this report. The contact ellipse shift of interest is the motion of the nominal tooth contact location on each tooth from the ideal pitch point to the point of contact between the two teeth considering the elastic motions of the gears and their supporting shafts. This is the shift of the pitch point from the ideal, unloaded position on each tooth to the nominal contact location on the tooth when the gears are fully loaded. It is assumed that the major contributors of this motion are the elastic deflections of the gear shafts, the slopes of the shafts under load and the radial deflections of the four gear shaft bearings. The motions of the two pitch point locations on the pinion and the gear tooth surfaces are calculated in a FORTRAN program which also calculates the size and orientation of the Hertzian contact ellipse on the tooth faces. Based on the curvatures of the two spiral bevel gear teeth and the size of the contact ellipse, the program also predicts the basic dynamic capacity of the tooth pair. A complete numerical example is given to illustrate the use of the program.

Altidis, P. C.↗