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At least 325 records · Page 18

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Structure determination of the HgcAB complex using metagenome sequence data: insights into microbial mercury methylation

Bacteria and archaea possessing the hgcAB gene pair methylate inorganic mercury (Hg) to form highly toxic methylmercury. HgcA consists of a corrinoid binding domain and a transmembrane domain, and HgcB is a dicluster ferredoxin. However, their detailed structure and function have not been thoroughly characterized. We modeled the HgcAB complex by combining metagenome sequence data mining, coevolution analysis, and Rosetta structure calculations. In addition, we overexpressed HgcA and HgcB in Escherichia coli, confirmed spectroscopically that they bind cobalamin and [4Fe-4S] clusters, respectively, and incorporated these cofactors into the structural model. Surprisingly, the two domains of HgcA do not interact with each other, but HgcB forms extensive contacts with both domains. The model suggests that conserved cysteines in HgcB are involved in shuttling HgII, methylmercury, or both. These findings refine our understanding of the mechanism of Hg methylation and expand the known repertoire of corrinoid methyltransferases in nature.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2011

Contact Graph Routing

Contact Graph Routing (CGR) is a dynamic routing system that computes routes through a time-varying topology of scheduled communication contacts in a network based on the DTN (Delay-Tolerant Networking) architecture. It is designed to enable dynamic selection of data transmission routes in a space network based on DTN. This dynamic responsiveness in route computation should be significantly more effective and less expensive than static routing, increasing total data return while at the same time reducing mission operations cost and risk. The basic strategy of CGR is to take advantage of the fact that, since flight mission communication operations are planned in detail, the communication routes between any pair of bundle agents in a population of nodes that have all been informed of one another's plans can be inferred from those plans rather than discovered via dialogue (which is impractical over long one-way-light-time space links). Messages that convey this planning information are used to construct contact graphs (time-varying models of network connectivity) from which CGR automatically computes efficient routes for bundles. Automatic route selection increases the flexibility and resilience of the space network, simplifying cross-support and reducing mission management costs. Note that there are no routing tables in Contact Graph Routing. The best route for a bundle destined for a given node may routinely be different from the best route for a different bundle destined for the same node, depending on bundle priority, bundle expiration time, and changes in the current lengths of transmission queues for neighboring nodes; routes must be computed individually for each bundle, from the Bundle Protocol agent's current network connectivity model for the bundle s destination node (the contact graph). Clearly this places a premium on optimizing the implementation of the route computation algorithm. The scalability of CGR to very large networks remains a research topic. The information carried by CGR contact plan messages is useful not only for dynamic route computation, but also for the implementation of rate control, congestion forecasting, transmission episode initiation and termination, timeout interval computation, and retransmission timer suspension and resumption.

Burleigh, Scott C.↗

DOE OSTI2020

An energy model of droplet impingement on an inclined wall under isothermal and non-isothermal environments

The observation of spray-wall interaction is of great importance to understand the dynamics that occur during fuel impingement onto the chamber wall or piston surfaces in internal combustion engines. It is found that the maximum spreading length of an impinged droplet can provide a quantitative estimation of heat transfer and energy transformation for spray-wall interaction. Furthermore, it influences the air-fuel mixing and hydrocarbon and particle emissions at combusting conditions. In this paper, an analytical model of different droplet-wall impingement conditions is developed in terms of βm (dimensionless maximum spreading length, the ratio of maximum spreading length to initial droplet diameter) to understand the detailed impinging dynamic process. These conditions are grouped as: a single diesel droplet impinging on the wall with different inclined angles (α); cold wall - heated droplet and heated wall - cold droplet impingement when inclined angle of the wall is 0°, respectively. The analytical model is built up based on the energy conservation that considers kinetic energy, gravitation energy, and surface energy before impingement, as well as viscous dissipation, gravitation energy, adhesion energy, deformation energy, and heat energy after impingement. The experimental work of diesel droplet impinging on an inclined wall is performed at a certain range of the Weber number (We of 33 to 420) with various inclined angles (α of 0° to 45°), while for inclined angle is 0°, droplet and wall temperature are varied from 25°C to 150°C to study the effects of the inclined angle and temperature on the temporal evolution of the post-impingement characteristics (i.e. droplet spreading length, dynamic contact angle). The analytical model is validated and evaluated at the aforementioned experimental operating points. The validated model can be employed to predict maximum spreading length of the droplet impinged on the wall. It is further utilized to determine the transition from capillary regime to kinetic regime, then to viscous regime at different inclined angle of the wall.

42 ENGINEERING↗

NASA NTRS1990

On the numerical solution of the dynamically loaded hydrodynamic lubrication of the point contact problem

The transient analysis of hydrodynamic lubrication of a point-contact is presented. A body-fitted coordinate system is introduced to transform the physical domain to a rectangular computational domain, enabling the use of the Newton-Raphson method for determining pressures and locating the cavitation boundary, where the Reynolds boundary condition is specified. In order to obtain the transient solution, an explicit Euler method is used to effect a time march. The transient dynamic load is a sinusoidal function of time with frequency, fractional loading, and mean load as parameters. Results include the variation of the minimum film thickness and phase-lag with time as functions of excitation frequency. The results are compared with the analytic solution to the transient step bearing problem with the same dynamic loading function. The similarities of the results suggest an approximate model of the point contact minimum film thickness solution.

Lim, Sang G.↗

NASA NTRS1992

Nucleation and growth of rolling contact failure of 440C bearing steel

A 'two-body' elasto-plastic finite element model of 2-dimensional rolling and rolling-plus-sliding was developed to treat the effect of surface irregularities. The model consists of a smooth cylinder in contact with a semi-infinite half-space that is either smooth or fitted with one of 0.4 microns deep or 7 microns deep groove, or a 0.4 microns high ridge-like asperity. The model incorporates elastic-linear-kinematic hardening-plastic (ELKP) and non-linear-kinematic hardening-plastic (NLKP) material constitutive relations appropriate for hardened bearing steel and the 440C grade. The calculated contact pressure distribution is Hertzian for smooth body contact, and it displays intense, stationary, pressure spikes superposed on the Hertzian pressure for contact with the grooved and ridged surface. The results obtained for the 0.4 microns deep groove compare well with those reported by Elsharkawy and Hamrock for an EHD lubricated contact. The effect of translating the counterface on the half space as opposed to indenting the half space with the counter face with no translation is studied. The stress and strain values near the surface are found to be similar for the two cases, whereas they are significantly different in the subsurface. It is seen that when tiny shoulders are introduced at the edge of the groove in the finite element model, the incremental plasticity and residual stresses are significantly higher in the vicinity of the right shoulder (rolling direction is from left to right) than at the left shoulder. This may explain the experimental observation that the spall nucleation occurs at the exit end of the artificially planted indents. Pure rolling calculations are compared with rolling + sliding calculations. For a coefficient of friction, mu = 0.1, the effect of friction is found to be small. Efforts were made to identify the material constitutive relations which best describe the deformation characteristics of the bearing steels in the initial few cycles. Elastic-linear-kinematic hardening-plastic (ELKP) material constitutive relations produce less net plastic deformation in the initial stages for a given stress, than seen in experiments. A new set of constitutive relations: non-linear-kinematic hardening-plastic (NLKP) was used. This material model produces more plasticity than the ELKP model and shows promise for treating the net distortions in the early stages. Techniques for performing experimental measurements that can be compared with the finite element calculations were devised. The measurements are being performed on 9mm-diameter, 440C steel cylindrical rolling elements in contact with 12.5 mm-diameter, 52100 steel balls in a 3-ball-rod fatigue test machine operating at 3600 RPM. Artificial, 7 microns deep, indents were inserted on the running track of the cylindrical rolling elements and profilometer measurements of these indents made, before and after the rolling. These preliminary measurements show that the indents are substantially deformed plastically in the process of rolling. The deformations of the groove calculated with the finite element model are comparable to those measured experimentally.

Gupta, V.↗

DOE OSTI2022

Electromagnetic signals of inelastic dark matter scattering

Light dark sectors in thermal contact with the Standard Model can naturally produce the observed relic dark matter abundance and are the targets of a broad experimental search program. A key light dark sector model is the pseudo-Dirac fermion with a dark photon mediator. The dynamics of the fermionic excited states are often neglected. We consider scenarios in which a nontrivial abundance of excited states is produced and their subsequent de-excitation yields interesting electromagnetic signals in direct detection experiments. We study three mechanisms of populating the excited state: a primordial excited fraction, a component up-scattered in the Sun, and a component up-scattered in the Earth. We find that the fractional abundance of primordial excited states is generically depleted to exponentially small fractions in the early universe. Nonetheless, this abundance can produce observable signals in current dark matter searches. MeV-scale dark matter with thermal cross sections and higher can be probed by down-scattering following excitation in the Sun. Up-scatters of GeV-scale dark matter in the Earth can give rise to signals in current and upcoming terrestrial experiments and X-ray observations. We comment on the possible relevance of these scenarios to the recent excess in XENON1T.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

The Peridigm Meshfree Peridynamics Code

Abstract Peridigm is a meshfree peridynamics code written in C++ for use on large-scale parallel computers. It was originally developed at Sandia National Laboratories and is currently managed as an open-source, community driven software project. Its primary features include bond-based, state-based, and non-ordinary state-based constitutive models, bond failure laws, contact, and support for explicit and implicit time integration. To date, Peridigm has been used primarily by methods developers focused on solid mechanics and material failure. Peridigm utilizes foundational software components from Sandia’s Trilinos project and was designed for extensibility. This paper provides an overview of the solution methods implemented in Peridigm , a discussion of its software infrastructure, and demonstrates the use of Peridigm for the solution of several example problems.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2021

The homogenous alternative to biomineralization: Zn- and Mn-rich materials enable sharp organismal “tools” that reduce force requirements

We measured hardness, modulus of elasticity, and, for the first time, loss tangent, energy of fracture, abrasion resistance, and impact resistance of zinc- and manganese-enriched materials from fangs, stings and other “tools” of an ant, spider, scorpion and nereid worm. The mechanical properties of the Zn- and Mn-materials tended to cluster together between plain and biomineralized “tool” materials, with the hardness reaching, and most abrasion resistance values exceeding, those of calcified salmon teeth and crab claws. Atom probe tomography indicated that Zn was distributed homogeneously on a nanometer scale and likely bound as individual atoms to more than ¼ of the protein residues in ant mandibular teeth. This homogeneity appears to enable sharper, more precisely sculpted “tools” than materials with biomineral inclusions do, and also eliminates interfaces with the inclusions that could be susceptible to fracture. Based on contact mechanics and simplified models, we hypothesize that, relative to plain materials, the higher elastic modulus, hardness and abrasion resistance minimize temporary or permanent tool blunting, resulting in a roughly 2/3 reduction in the force, energy, and muscle mass required to initiate puncture of stiff materials, and even greater force reductions when the cumulative effects of abrasion are considered. We suggest that the sharpness-related force reductions lead to significant energy savings, and can also enable organisms, especially smaller ones, to puncture, cut, and grasp objects that would not be accessible with plain or biomineralized “tools”.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Four-dimensional chromosome reconstruction elucidates the spatiotemporal reorganization of the mammalian X chromosome

Significance Breakthrough technological advances such as Hi-C have enabled large-scale sequencing of pairwise genomic contacts. However, translating the 2D contacts to 3D spatial models remains challenging. Here we develop the “4DHiC” modeling method to infer 3D information from 2D datasets across time and construct a 3D model of the inactive X-chromosome (Xi). Our model not only demonstrates a spatial phase-separation between A/B and S1/S2 compartments to form “hemispheres,” but also reveals persistent smaller-scale structures hidden under the Xi superstructure. We also simulate Xist RNA spreading dynamics and deduce that the RNA spreads between hemispheres via both surface and core to establish the Xi. Our 4DHiC will serve a growing demand for data-driven methodologies that extract spatial information from biochemical interaction data.

Lappala, Anna↗

DOE OSTI2022

Extracting forces from noisy dynamics in dusty plasmas

Extracting environmental forces from noisy data is a common yet challenging task in complex physical systems. Machine learning (ML) represents a robust approach to this problem, yet is mostly tested on simulated data with known parameters. Here we use supervised ML to extract the electrostatic, dissipative, and stochastic forces acting on micron-sized charged particles levitated in an argon plasma (dusty plasma). By tracking the sub-pixel motion of particles in subsequent images, we successfully estimated these forces from their random motion. The experiments contained important sources of non-Gaussian noise, such as drift and pixel-locking, representing a data mismatch from methods used to analyze simulated data with purely Gaussian noise. Our model was trained on simulated particle trajectories that included all of these artifacts, and used more than 100 dynamical and statistical features, resulting in a prediction with 50\% better accuracy than conventional methods. Lastly, in systems with two interacting particles, the model provided non-contact measurements of the particle charge and Debye length in the plasma environment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1969

Tunneling measurement of electron-plasmon interaction in degenerate semiconductors.

Electron-plasmon interaction in degenerate semiconductors, using mathematical model for rectifying metal contacts tunneling characteristics

Duke, C. B.↗

NASA NTRS1979

High Efficiency Cell Development

The specific activity was to improve the tandem junction Cell (TJC) as a high efficiency solar cell. The TJC development was to be consistent with module assembly and should contribute to the overall goals of the Low-Cost Solar Array Project. During 1978, TJC efficiency improved from approximately 11 percent to approximately 16 percent (AMI). Photogenerated current densities in excess of 42 mA/sq cm were observed at AMO. Open circuit voltages as high as 0.615 V were measured at AMO. Fill factor was only 0.68 - 0.75 due to a nonoptimum metal contact design. A device model was conceived in which the solar cell is modelled as a transitor. There are virtually no interconnect or packaging factor systems and the TJC is compatible with all conventional module fabrication systems. A modification of the TJC, the Front Surface Field (FSF) cell, was also explored.

Carbajal, B. G.↗

NASA NTRS1979

Design considerations for the Tandem Junction Solar Cell

Structure and operation of the tandem junction cell (TJC) are described. The impact of using only back contacts is discussed. A model is presented which explains operation of the TJC in terms of transistor action. The model is applied to predict TJC performance as a function of physical parameters.

Matzen, W. T.↗

NASA NTRS1983

Development of an analytic procedure to calculate damage accumulation in composites during low velocity impact

A computerized procedure was developed to model the response of a laminated composite plate subjected to low velocity impact. The methodology incorporated transient dynamics finite element analysis coupled with composite layer and interlaminar stress predictions. Damage was predicted using a stress based failure criteria and incorporated into the solution as stiffness modifications. The force-displacement relation between the impactor and plate was modelled with a nonlinear contact spring similar to Hertzian contact. Analyses performed predicted ply damage early in the impact event when the displacement fields were characteristic of high frequency flexurable response.

Humphreys, E. A.↗

NASA NTRS1987

Profile modification to minimize spur gear dynamic loading

An analytical computer simulation program for dynamic modeling of low-contact-ratio spur gear systems is presented. The procedure computes the static transmission error of the gears operating under load and uses a fast Fourier transform to generate the frequency spectrum of the static transmission error at various tooth profile modifications. The dynamic loading response of an unmodified (perfect involute) gear pair was compared with that of gears with various profile modifications. Correlations were found between various profile modifications and the resulting dynamic loads. An effective error, obtained from frequency domain analysis of the static transmission error of the gears, gave a very good indication of the optimum profile modification to reduce gear dynamic loading. Design curves generated by dynamic simulation at various profile modifications are given for gear systems operated at various loads. Optimum profile modifications can be determined from these design curves for improved gear design.

Lin, Hsiang Hsi↗

NASA NTRS1988

Definition of common support equipment and space station interface requirements for IOC model technology experiments

A study was conducted to identify the common support equipment and Space Station interface requirements for the IOC (initial operating capabilities) model technology experiments. In particular, each principal investigator for the proposed model technology experiment was contacted and visited for technical understanding and support for the generation of the detailed technical backup data required for completion of this study. Based on the data generated, a strong case can be made for a dedicated technology experiment command and control work station consisting of a command keyboard, cathode ray tube, data processing and storage, and an alert/annunciator panel located in the pressurized laboratory.

Russell, Richard A.↗

NASA NTRS1989

Profile modification to minimize spur gear dynamic loading

Lin, H. H.↗

NASA NTRS1992

Thermal mechanical analysis of sprag clutches

Work done at Case Western Reserve University on the Thermal Mechanical analysis of sprag helicopter clutches is reported. The report is presented in two parts. The first part is a description of a test rig for the measurement of the heat generated by high speed sprag clutch assemblies during cyclic torsional loading. The second part describes a finite element modeling procedure for sliding contact. The test rig provides a cyclic torsional load of 756 inch-pounds at 5000 rpm using a four-square arrangement. The sprag clutch test unit was placed between the high speed pinions of the circulating power loop. The test unit was designed to have replaceable inner ad outer races, which contain the instrumentation to monitor the sprag clutch. The torque loading device was chosen to be a water cooled magnetic clutch, which is controlled either manually or through a computer. In the second part, a Generalized Eulerian-Lagrangian formulation for non-linear dynamic problems is developed for solid materials. This formulation is derived from the basic laws and axioms of continuum mechanics. The novel aspect of this method is that we are able to investigate the physics in the spatial region of interest as material flows through it without having to follow material points. A finite element approximation to the governing equations is developed. Iterative Methods for the solution of the discrete finite element equations are explored. A FORTRAN program to implement this formulation is developed and a number of solutions to problems of sliding contact are presented.

Mullen, Robert L.↗