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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Benchmark study of a new simplified DFN model for shearing of intersecting fractures and faults

It is challenging to quantitatively predict shearing of intersecting fractures/faults because of dynamic frictional contacts accompanied by possible nonlinear rock deformation. To address such challenges, a new conceptual model—the simplified DFN model—was proposed and validated by Hu et al. 46 to use major paths (MPs) to represent complicated DFNs for calculation of shearing. In this work, we conducted a benchmark study for three examples that involve different levels of complexity of intersecting fractures, and correspondingly different numbers of MPs. The codes and software that were used in the benchmark cover a range of continuum, discontinuum and hybrid numerical methods: NMM (LBNL), FLAC3D (LBNL), GBDEM (KIGAM), FRACOD (DynaFrax), and CASRock (CAS). The general consistency between DFN and MP cases as predicted by all the codes/software demonstrates that major paths can be used to simplify the geometry of DFNs in a wide range of software. Disagreement in results made by some software and potential future improvements are discussed. We show that (1) shearing of one or multiple major fractures can be reduced if there are multiple smaller intersecting fractures in that area, which is a useful basis for understanding and controlling induced seismicity and merits further analysis, and (2) the agreement achieved in the benchmark examples provide confidence that the simplified DFN model is a promising conceptual model that can be used for different types of numerical approaches and software for simplifying the analysis of the shearing of intersecting fractures and faults.

58 GEOSCIENCES↗
NASA NTRS1980

Dynamic response to rotating-seat runout in non-contacting face seals

The dynamic response of a flexibly mounted ring to runout of the rotating seat in mechanical face seals is analyzed assuming small perturbations. It is found that tracking ability of the stator depends only on its dynamic characteristics and operating conditions and is not affected by the amount of runout. Three different modes of dynamic response are shown and the condition for parallel tracking is presented.

Etsion, I.↗
DOE OSTI2022

Designing Stress-Adaptive Dense Suspensions Using Dynamic Covalent Chemistry

The non-Newtonian behaviors of dense suspensions are central to their use in technological and industrial applications and arise from a network of particle–particle contacts that dynamically adapt to imposed shear. Reported herein are studies aimed at exploring how dynamic covalent chemistry between particles and the polymeric solvent can be used to tailor such stress-adaptive contact networks, leading to their unusual rheological behaviors. Specifically, a room temperature dynamic thia-Michael bond is employed to rationally tune the equilibrium constant (K eq ) of the polymeric solvent to the particle interface. It is demonstrated that low Keq leads to shear thinning, while high K eq produces antithixotropy, a rare phenomenon where the viscosity increases with shearing time. It is proposed that an increase in K eq increases the polymer graft density at the particle surface and that antithixotropy primarily arises from partial debonding of the polymeric graft/solvent from the particle surface and the formation of polymer bridges between particles. Thus, the implementation of dynamic covalent chemistry provides a new molecular handle with which to tailor the macroscopic rheology of suspensions by introducing programmable time dependence. These studies open the door to energy-absorbing materials that not only sense mechanical inputs and adjust their dissipation as a function of time or shear rate but also can switch between these two modalities on demand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural determination of a full-length plant cellulose synthase informed by experimental and in silico methods

Three-dimensional structure determination and prediction of proteins with intrinsically disordered regions, unstructured regions, conformational flexibility, and lacking homologous structures are challenging. We previously predicted and refined an in silico structure of a plant cellulose synthase from cotton (GhCESA1), and more recently, cryo-electron microscopy (cryo-EM) has resolved a majority of the lengths of two CESA structures from poplar (PttCESA8) and cotton (GhCESA7). However, 26–30% of these cryo-EM structures remain unresolved, including the N-terminal domain, half of the class-specific region, the gating loop region, and the C-terminal domain. Here, we describe the generation and evaluation of a full-length hybrid GhCESA1 model based on this cryo-EM PttCESA8 structure, with unresolved regions completed using this in silico refined GhCESA1 model. All-atom molecular dynamics simulations and subsequent energy minimizations were performed for the in silico and hybrid GhCESA1 models in a lipid bilayer-water-ion environment, and structural stability, dynamics, energetics, contacts, and quality were evaluated. The unresolved regions were found to be the most dynamic, in agreement with their poor electron density with cryo-EM. The hybrid model exhibited a higher total secondary structure content, more favorable intra-protein and protein-lipid interaction energies, and improved quality metrics. Moreover, hydrogen bonding was revealed to be a primary mechanism for intra-protein and protein-lipid contacts. These results demonstrate that in silico structure prediction and refinement may be useful to augment experimental structure determination, especially for disordered and unstructured regions. Furthermore, this hybrid model can serve as a steppingstone to derive full-length homology models of other CESAs found in more experimentally tractable organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Solvent–Solvent Correlations across Graphene: The Effect of Image Charges

Wetting experiments show pure graphene to be weakly hydrophilic, but its contact angle (CA) also reflects the character of the supporting material. Measurements and Molecular Dynamics simulations on suspended and supported graphene often reveal a CA reduction due to the presence of the supporting substrate. A similar reduction is consistently observed when graphene is wetted from both sides. The effect has been attributed to transparency to molecular interactions across the graphene sheet, however, the possibility of substrate-induced graphene polarization has also been considered. Computer simulations of CA on graphene have so far been determined by ignoring the material’s conducting properties. We improve the graphene model by incorporating its conductivity according to the Constant Applied Potential Molecular Dynamics. Using this method, we compare the wettabilities of suspended graphene and graphene supported by water by measuring the CA of cylindrical water drops on the sheets. The inclusion of graphene conductivity and concomitant polarization effects lead to a lower CA on suspended graphene but the CA reduction is significantly bigger when the sheets are also wetted from the opposite side. The stronger adhesion is accompanied by a profound change in the correlations among water molecules across the sheet. While partial charges on water molecules interacting across an insulator sheet attract charges of the opposite sign, apparent attraction among like charges is manifested across the conducting graphene. The change is associated with graphene polarization, as the image charges inside the conductor attract equally signed partial charges of water molecules on both sides of the sheet. Additionally, by using a non-polar liquid (diiodomethane), we affirm a detectable wetting translucency when liquid-liquid forces are dominated by dispersive interactions. Furthermore, our findings are important for predictive modeling toward a variety of applications including sensors, fuel cell membranes, water filtration, and graphene-based electrode materials in high-performance supercapacitors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1975

Analysis of dynamic capacity of low-contact-ratio spur gears using Lundberg-Palmgren theory

A concise mathematical model is developed for surface fatigue life of low-contact-ratio spur gears. The expected fatigue life of the pinion, gear, or gear sets may be calculated from the model. An equation for the dynamic capacity of the gear set was also derived in terms of the transmitted tangential tooth load which will give a 10-percent fatigue life of one million pinion revolutions. The theoretical life was compared with experimental data for a set of VAR AISI 9310 gears operating at a Hertz stress of 1.71X10 to the 9th power newtons per square meter (248,000 psi) and 10 000 revolutions per minute. Good agreement was obtained between the experimental and theoretical surface fatigue life of the gears.

Coy, J. J.↗
NASA NTRS1986

Electromagnetic Hammer for Metalworking

High eddy currents apply pressure for cold-forming. Coil housing constructed for mechanical strength to hold coil against magnetic force, to maintain electrical contact with coil ends, and to maintain insulation between coil turns. Drilled holes placed to facilitate release of bubbles during potting. In contrast with mechanical hammers, electromagnetic hammer requires no dynamic material contact with workpiece; consequently, produces almost no change in metal grain structure.

Anderson, S. A.↗
NASA NTRS1994

Hydrodynamic instability and coalescence of binary neutron stars

We study the importance of hydrodynamic effects on the evolution of coalescing binary neutron stars. Using an approximate energy functional constructed from equilibrium solutions for polytropic binary configuration, we incorporate hydrodynamic effects into the calculation of the orbital decay driven by gravitational wave emission. In particular, we follow the transition between the quasi-static, secular decay of the orbit at large separation and the rapid dynamical evolution of confirgurations approaching contact. We show that a purely Newtonian hydrodynamic instability can significantly accelerate the coalescence at small separation. Such an instability occurs in all close binary configurations containing sufficiently incompressible stars. Calculations are performed for various neutron star masses, radii, and spins. The influence of the stiffness of the equation of state is also explored by varying the effective polytopic index. Typically, we find that the radial infall velocity just prior to contact is about 10% of the tangential orbital velocity. Once the stability limit is reached, the final evolution only takes another orbit. Post-Newtonian effects can move the stability limit to a larger binary separation, and may induce an even larger radial velocity. We also consider the possibiltiy of mass transfer form one neutron star to the other. We show that stable mass transfer is unlikely except when the mass of one of the components is very small (M is less than or approximately 0.4 solar mass) and the viscosity is high enough to maintain corotation. Otherwise, either the two stars come into contact or the dynamical instability sets in before a Roche limit can be reached.

Lai, Dong↗
NASA NTRS1977

Dynamic tooth loads and stressing for high contact ratio spur gears

A time history, closed form solution is presented for a dynamic model of spur gear systems for all practical contact ratios. The analysis determines the dynamic response of the gear system and the associated tooth loads and stressing. The dynamic model assumes the two gears act as a rigid inertia and the teeth act as a variable spring of a dynamic system excited by the meshing action of the teeth. Included in the analysis are the effects of the nonlinearity of the tooth pair stiffness during mesh, the tooth errors, and the tooth profile modifications. Besides reviewing the features, solution, and program of this analysis, preliminary results from applying the analysis are presented, which show that tooth profile modification, system inertia and damping, and system critical speeds can affect the dynamic gear tooth loads and stressing significantly.

Cornell, R. W.↗
DOE OSTI2025

In Situ Atomic Tracking on the Interfacial Etching and Reconfiguration of Cu-ReSe 2 Contact during Thermal Annealing

The Schottky barrier height can be greatly affected by the metal diffusion, reaction, and covalent bonding formation at the contact. Exploring novel methods and revealing the fundamental mechanisms for contact engineering are of vital importance for microelectronic devices. Here, in this study, the annealing induced interfacial reactions at Cu-ReSe 2 contact are dynamically revealed from the atomic scale. Accompanied by the diffusion of Se to Cu, ReSe 2 is gradually decomposed to a thin Re interlayer through a “chain-by-chain” manner. Theoretical calculations show that the Cu atoms can facilitate the chemical bond breaking of ReSe 2 , significantly lowering the Se diffusion energy barrier toward Cu. The formed Re/ReSe 2 heterostructure presents a metal-like band structure, which underscores the critical role of Cu in altering the interfacial chemistry and promoting carrier transport across the interface. Our results can provide vital insights into the contact properties of ReSe 2 and provide a possible method for fabricating high-performance ReSe 2 -based devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1983

Dynamic tooth loads and stressing for high contact ratio spur gears

An analysis and computer program were developed for calculating the dynamic gear tooth loading and root stressing for high contact ratio gearing (HCRG) as well as LCRG. The analysis includes the effects of the variable tooth stiffness during the mesh, tooth profile modification, and gear errors. The calculation of the tooth root stressing caused by the dynamic gear tooth loads is based on a modified Heywood gear tooth stress analysis, which appears more universally applicable to both LCRG and HCRG. The computer program is presently being expanded to calculate the tooth contact stressing and PV values. Sample application of the gear program to equivalent LCRG (1.566 contact ratio) and HCRG (2.40 contact ratio) revealed the following: (1) the operating conditions and dynamic characteristics of the gear system an affect the gear tooth loading and root stressing, and therefore, life significantly; (2) the length of the profile modification affect the tooth loading and root stressing significantly, the amount depending on the applied load, speed, and contact ratio; and (3) the effect of variable tooth stiffness is small, shifting and increasing the response peaks slightly from those for constant tooth stiffness.

Cornell, R. W.↗
DOE OSTI2024

Hub stability in the calcium calmodulin-dependent protein kinase II

The calcium calmodulin protein kinase II (CaMKII) is a multi-subunit ring assembly with a central hub formed by the association domains. There is evidence for hub polymorphism between and within CaMKII isoforms, but the link between polymorphism and subunit exchange has not been resolved. Here, we present near-atomic resolution cryogenic electron microscopy (cryo-EM) structures revealing that hubs from the α and β isoforms, either standalone or within an β holoenzyme, coexist as 12 and 14 subunit assemblies. Single-molecule fluorescence microscopy of Venus-tagged holoenzymes detects intermediate assemblies and progressive dimer loss due to intrinsic holoenzyme lability, and holoenzyme disassembly into dimers upon mutagenesis of a conserved inter-domain contact. Molecular dynamics (MD) simulations show the flexibility of 4-subunit precursors, extracted in-silico from the β hub polymorphs, encompassing the curvature of both polymorphs. The MD explains how an open hub structure also obtained from the β holoenzyme sample could be created by dimer loss and analysis of its cryo-EM dataset reveals how the gap could open further. An assembly model, considering dimer concentration dependence and strain differences between polymorphs, proposes a mechanism for intrinsic hub lability to fine-tune the stoichiometry of αβ heterooligomers for their dynamic localization within synapses in neurons.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

Traction and lubricant film temperature as related to the glass transition temperature and solidification

Does a traction fluid have to be a glass or solid under operating conditions. Infrared spectra on dynamic EHD contacts of several types of fluid were used to determine the surface and oil-film temperatures. Polarized spectral runs were made to study molecular alignment. Static glass transition pressures at appropriate temperatures were between 0.1 and 2.0 GPa, with the traction fluid showing the highest. In the EHD contact region, the traction fluid showed both the highest film temperatures as well as the greatest degree of molecular alignment. A plot of the difference between the film and surface temperatures vs shear rate resulted in a master plot valid for all the fluids. From this work, the authors propose a model of 'fluid' traction, where friction between parallel rough molecules provides the traction.

Lauer, J. L.↗
NASA NTRS2003

Human Research Initiative (HRI)

A code U initiative starting in the FY04 budget includes specific funding for 'Phase Change' and 'Multiphase Flow Research' on the ISS. NASA GRC developed a concept for two facilities based on funding/schedule constraints: 1) Two Phase Flow Facility (TphiFFy) which assumes integrating into FIR; 2) Contact Line Dynamics Experiment Facility (CLiDE) which assumes integration into MSG. Each facility will accommodate multiple experiments conducted by NRA selected PIs with an overall goal of enabling specific NASA strategic objectives. There may also be a significant ground-based component.

Motil, Brian↗
NASA NTRS2003

Proposed Space Flight Experiment Hardware

The primary thrust for this plan is to develop design tools and fundamental understanding that are timely and consistent with the goal of the various exploration initiatives. The plan will utilize ISS facilities, such as the Fluids Integrated Rack (FIR) and the Microgravity Science Glovebox (MSG). A preliminary flow schematic of Two-Phase Flow Facility (T(phi)FFy) which would utilize FIR is shown in Figure 3. MSG can be utilized to use the Boiling eXperiment Facility (BXF) and Contact Line Dynamics Experiment (CLiDE) Facility. The T(phi)FFy system would have multiple test sections whereby different configurations of heat exchangers could be used to study boiling and condensation phenomena. The test sections would be instrumented for pressure drop, void fraction, heat fluxes, temperatures, high-speed imaging and other diagnostics. Besides a high-speed data acquisition system with a large data storage capability, telemetry could be used to update control and test parameters and download limited amounts of data. In addition, there would be multiple accumulators that could be used to investigate system stability and fluid management issues. The system could accommodate adiabatic tests through either the space station nitrogen supply or have an experiment-specific compressor to pressurize a sufficient amount of air or other non-condensable gas for reuse as the supply bottle is depleted.

Source record↗
NASA NTRS2004

Electrochemical Properties of Organosilane Self Assembled Monolayers on Aluminum 2024

Self assembled monolayers are commonly used to modify surfaces. Within the last 15 years, self assembled monolayers have been investigated as a way to protect from corrosion[1,2] or biofouling.[3] In this study, self assembled monolayers of decitriethoxysilane (C10H21Si(OC2H5)3) and octadecyltriethoxysilane (C18H37Si(OC2H5)3) were formed on aluminum 2024-T3. The modified surfaces and bare Al 2024 were characterized by dynamic water contact angle measurements, x-ray photoelectron spectroscopy (XIPS) and infrared spectroscopy. Electrochemical impedance spectroscopy (EIS) in 0.5 M NaCl was used to characterize the monolayers and evaluate their corrosion protection properties. The advancing water contact angle and infrared measurements show that the mono layers form a surface where the hydrocarbon chains are packed and oriented away from the surface, consistent with what is found in similar systems. The contact angle hysteresis measured in these systems is relatively large, perhaps indicating that the hydrocarbon chains are not as well packed as monolayers formed on other substrates. The results of the EIS measurements were modeled using a Randle's circuit modified by changing the capacitor to a constant phase element. The constant phase element values were found to characterize the monolayer. The capacitance of the monolayer modified surface starts lower than the bare Al 2024, but approaches values similar to the bare Al 2024 within 24 hours as the monolayer is degraded. The n values found for bare Al 2024 quickly approach the value of a true capacitor and are greater than 0.9 within hours after the start of exposure. For the monolayer modified structure, n can stay lower than 0.9 for a longer period of time. In fact, n for the monolayer modified surfaces is different from the bare surface even after the capacitance values have converged. This indicates that the deviation from ideal capacitance is the most sensitive indicator of the presence of the monolayer.

Hintze, Paul E.↗