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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS2015

Forward Bay Cover Separation Modeling and Testing for the Orion Multi-Purpose Crew Vehicle

Spacecraft multi-body separation events during atmospheric descent require complex testing and analysis to validate the flight separation dynamics models used to verify no re-contact. The NASA Orion Multi-Purpose Crew Vehicle (MPCV) architecture includes a highly-integrated Forward Bay Cover (FBC) jettison assembly design that combines parachutes and piston thrusters to separate the FBC from the Crew Module (CM) and avoid re-contact. A multi-disciplinary team across numerous organizations examined key model parameters and risk areas to develop a robust but affordable test campaign in order to validate and verify the FBC separation event for Exploration Flight Test-1 (EFT-1). The FBC jettison simulation model is highly complex, consisting of dozens of parameters varied simultaneously, with numerous multi-parameter interactions (coupling and feedback) among the various model elements, and encompassing distinct near-field, mid-field, and far-field regimes. The test campaign was composed of component-level testing (for example gas-piston thrusters and parachute mortars), ground FBC jettison tests, and FBC jettison air-drop tests that were accomplished by a highly multi-disciplinary team. Three ground jettison tests isolated the testing of mechanisms and structures to anchor the simulation models excluding aerodynamic effects. Subsequently, two air-drop tests added aerodynamic and parachute elements, and served as integrated system demonstrations, which had been preliminarily explored during the Orion Pad Abort-1 (PA-1) flight test in May 2010. Both ground and drop tests provided extensive data to validate analytical models and to verify the FBC jettison event for EFT-1. Additional testing will be required to support human certification of this separation event, for which NASA and Lockheed Martin are applying knowledge from Apollo and EFT-1 testing and modeling to develop a robust human-rated FBC separation event.

Ali, Yasmin↗
NASA NTRS2023

Modeling and Simulation for Exercise Vibration Isolation and Stabilization System Design

The microgravity environment that crew members experience on orbit presents a well-known health challenge, particularly when it comes to loss of muscle and bone mass. To counteract these negative effects, exercise countermeasures play a critical role in the daily routine of the crew on the International Space Station (ISS). To help inform requirements for upcoming exploration missions such as the Gateway Program, a new device, called the European Enhanced Exploration Exercise Device (E4D), is being built by the European Space Agency through their contractor, the Danish Aerospace Company. The E4D is being demonstrated on the ISS and is unique from other current exercise devices in that it provides four separate modalities in a single device: resistive, cycle ergometry, seated aerobic rowing, and rope pulling. To support the integration of E4D on ISS, a passive Vibration Isolation and Stabilization (VIS) system was required by NASA, and this responsibility was given to the Johnson Space Center. This paper describes the end-to-end process of modeling, simulation, and analysis used to inform the mechanical design of the VIS system. The process begins with the collection of representative exerciser motion capture (MoCap) through ground-based testing with the developmental E4D in both the Prototype Immersive Technology (PIT) Laboratory and the Active Response Gravity Offload System (ARGOS) facility at the Johnson Space Center. These collected MoCap data are processed through human biomechanics modeling to create forcing functions as input to a multibody dynamics simulation of the combined E4D/VIS system, with numerous resulting outputs. These outputs include microgravity accelerations, overall system displacements, internal and transmitted loads, as well as collisions. Microgravity accelerations are compared for compliance against ISS requirements while displacements are used for sway space determinations on the design and volumetric constraints within the targeted module. Internal loads are supplied to the supporting stress analysis teams and external loads for structural loads and dynamics teams, both at NASA and ESA. Finally, contact and clearance analysis is performed using the simulation to eliminate potential design issues. To ensure that the elements of the multibody simulation were verified and validated, correlation against multiple VIS related ground hardware testbeds was performed and characterized. In addition to the isolation part of the VIS problem, stabilization is also key to the integrated performance and evaluation. Due to the difficulty in defining ISS requirements in this area, the stability of the exerciser was inspected via analysis. Loss of balance was defined analytically as occurring when the resultant force vector acting on the exerciser lies outside the base of support of the feet. Both the VIS and E4D teams have recently gone through their Critical Design Reviews (CDRs) and the iterative model-based approach has been integral to inform mechanical design, particularly in the case of the VIS. This same end-to-end approach is now being applied for the Gateway Program, where an Exploration Exercise Device (EED) derived from the E4D and notional VIS for the device are under concept development.

Countermeasures↗
DOE OSTI2024

Extraction of Vibration Data with Imaging

To date, the primary sensing technology used to measure the vibration response has been accelerometers and strain gages mounted directly to the structure and using either wired or, more recently, wireless telemetry. Cost issues with these sensors and the associated data acquisition systems typically limit the numbers that are deployed on in situ structures. Although there are a few structures with larger sensing counts that in some cases exceed over 1000 sensors, more typical numbers range from ten to one hundred sensors resulting in low spatial resolution when they are applied to physically large systems. When one considers that nuclear power plant structures usually have complex geometries, material properties, connectivity and boundary conditions, it is clear these current approaches to vibration measurements can only provide limited information about a system’s dynamics response characteristics. As an alternative, many non-contact measurement technologies have emerged, including point wise measurement methods such as Global Positioning System (GPS), microwave interferometry, and laser Doppler vibrometry (LDV), as well as simultaneous full-field measurement methods such as electronic speckle pattern interferometry, holography interferometry, and muon tomography, some of which can provide high spatial resolution measurements. Among these methods, digital video imaging techniques have emerged as a feasible solution for full-field vibration measurements that provide significantly more detailed dynamic response information because every pixel becomes a measurement point. Furthermore, recent advances in image processing and computer vision algorithms have been successfully used to process video data for experimental and operational modal analysis. Such full-field measurements have the potential to significantly improve many current structural assessment procedures including system identification (modal parameter estimation), structural health monitoring, load reconstruction, model validation, and model updating. Furthermore, more recent full-field imaging techniques can be accomplished with relatively low-cost, commercially-available off-the-shelf cameras. However, these measurement procedures have other limitations that must be considered such as the ability to only measure visibly accessible points on a structure and a more limited dynamic range and bandwidth than can be achieved with accelerometers or strain gages.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Lithium oxidation and electrolyte decomposition at Li-metal/liquid electrolyte interfaces

In this work, we examine the evolution of events occurring when a Li metal surface is in contact with a 2 M solution of a Li salt in a solvent or mixture of solvents, via classical molecular dynamics simulations with a reactive force field allowing bond breaking and bond forming. The main events include Li oxidation and electrolyte reduction along with expansion of the Li surface layers forming a porous phase that is the basis for the formation of the solid-electrolyte interphase (SEI) components. Nucleation of the main SEI components (LiF, Li oxides, and some organics) is characterized. The analysis clearly reveals the details of these physical–chemical events as a function of time, during 20 nanoseconds. The effects of the chemistry of the electrolyte on Li oxidation and dissolution in the liquid electrolyte, and SEI nucleation and structure are identified by testing two salts: LiPF 6 and LiCF 3 SO 3 , and various solvents including ethers and carbonates and mixtures of them. The kinetics and thermodynamics of Li 6 F, the core nuclei in the LiF crystal, are studied by analysis of the MD trajectories, and via density functional theory calculations respectively. The SEI formed in this computational experiment is the “native” film that would form upon contact of the Li foil with the liquid electrolyte. As such, this work is the first in a series of computational experiments that will help elucidate the intricate interphase layer formed during battery cycling using metal anodes.

25 ENERGY STORAGE↗
NASA NTRS2003

Defect, Kinetics and Heat Transfer of CDTE Bridgman Growth without Wall Contact

A detached growth mechanism has been proposed, which is similar to that proposed by Duffar et al. and used to study the current detached growth system. From numerical results, we can conclude that detached growth will more likely appear if the growth and wetting angles are large and meniscus is flat. Detached thickness is dependent on growth angle, wetting angle, and gap width and shape of the fins. The model can also explain why the detached growth will not happen for metals in which the growth angle is almost zero. Since the growth angle of CdZnTe cannot be changed, to promote detached growth, the number density of the fins should be low and the wetting angle should be high. Also, a much smaller gap width of the fins should be used in the ground experiment and the detached gap width is much smaller. The shape of the fins has minor influence on detached growth. An integrated numerical model for detached solidification has been developed combining a global heat transfer sub-model and a wall contact sub-model. The global heat transfer sub-model accounts for heat and mass transfer in the multiphase system, convection in the melt, macro-segregation, and interface dynamics. The location and dynamics of the solidification interface are accurately tracked by a multizone adaptive grid generation scheme. The wall contact sub-model accounts for the meniscus dynamics at the three-phase boundary. Simulations have been performed for crystal growth in a conventional ampoule and a designed ampoule to understand the benefits of detached solidification and its impacts on crystalline structural quality, e.g., stoichiometry, macro-segregation, and stress. From simulation results, both the Grashof and Marangoni numbers will have significant effects on the shape of growth front, Zn concentration distribution, and radial segregation. The integrated model can be used in designing apparatus and determining the optimal geometry for detached solidification in space and on the ground.

Larson, D. J., Jr.↗
NASA NTRS1991

Direct adaptive impedance control of manipulators

An adaptive scheme for controlling the end-effector impedance of robot manipulators is presented. The proposed control system consists of three subsystems: a simple filter which characterizes the desired dynamic relationship between the end-effector position error and the end-effector/environment contact force, an adaptive controller which produces the Cartesian-space control input required to provide this desired dynamic relationship, and an algorithm for mapping the Cartesian-space control input to a physically realizable joint-space control torque. The controller does not require knowledge of either the structure or the parameter values of the robot dynamics, and it is implemented without calculation of the robot inverse kinematic transformation. As a result, the scheme represents a very general and computationally efficient approach to controlling the impedance of both nonredundant and redundant manipulators. Furthermore, the method can be applied directly to trajectory tracking in free-space motion by removing the impedance filter.

Colbaugh, R.↗
DOE OSTI2024

Transmission interference fringe ( TIF ) technique for the dynamic visualization of evaporating droplet

Here, the transmission interference fringe (TIF) technique was developed to visualize the dynamics of evaporating droplets based on the Reflection Interference Fringe (RIF) technique for micro-sized droplets. The geometric formulation was conducted to determine the contact angle (CA) and height of macro-sized droplets without the need for the prism used in RIF. The TIF characteristics were analyzed through experiments and simulations to demonstrate a wider range of contact angles from 0 to 90°, in contrast to RIF's limited range of 0–30°. TIF was utilized to visualize the dynamic evaporation of droplets in the constant contact radius (CCR) mode, observing the droplet profile change from convex-only to convex-concave at the end of dry-out from the interference fringe formation. The TIF also observed the contact angle increase from the fringe radius increase. This observation is uniquely reported as the interference fringe (IF) technique can detect the formation of interference fringe between the reflection from the center convex profile and the reflection from the edge concave profile on the far-field screen. Unlike general microscopy techniques, TIF can detect far-field interference fringes as it focuses beyond the droplet-substrate interface. The formation of the convex-concave profile during CCR evaporation is believed to be influenced by the non-uniform evaporative flux along the droplet surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1985

Advances and trends in structures and dynamics; Proceedings of the Symposium, Washington, DC, October 22-25, 1984

Among the topics discussed are developments in structural engineering hardware and software, computation for fracture mechanics, trends in numerical analysis and parallel algorithms, mechanics of materials, advances in finite element methods, composite materials and structures, determinations of random motion and dynamic response, optimization theory, automotive tire modeling methods and contact problems, the damping and control of aircraft structures, and advanced structural applications. Specific topics covered include structural design expert systems, the evaluation of finite element system architectures, systolic arrays for finite element analyses, nonlinear finite element computations, hierarchical boundary elements, adaptive substructuring techniques in elastoplastic finite element analyses, automatic tracking of crack propagation, a theory of rate-dependent plasticity, the torsional stability of nonlinear eccentric structures, a computation method for fluid-structure interaction, the seismic analysis of three-dimensional soil-structure interaction, a stress analysis for a composite sandwich panel, toughness criterion identification for unidirectional composite laminates, the modeling of submerged cable dynamics, and damping synthesis for flexible spacecraft structures.

Noor, A. K.↗
DOE OSTI2025

Interface morphogenesis with a deformable secondary phase in solid-state lithium batteries

Here, the complex morphological evolution of lithium metal at the solid-state electrolyte interface limits performance of solid-state batteries, leading to inhomogeneous reactions and contact loss. Inspired by biological morphogenesis, we developed an interfacial self-regulation concept in which a deformable secondary phase dynamically aggregates at the interface in response to local electro-chemo-mechanical stimuli, enhancing contact. The stripping of a lithium electrode that contains 5 to 20 mole % electrochemically inactive sodium domains causes spontaneous sodium accumulation across the interface, with the sodium deforming to attain intimate electrical contact without blocking lithium transport. This process, characterized with operando x-ray tomography and electron microscopy, mitigates voiding and improves cycling at low stack pressures. The counterintuitive strategy of adding electrochemically inactive alkali metal to improve performance demonstrates the utility of interfacial self-regulation for solid-state batteries.

Yoon, Sun Geun [Georgia Institute of Technology, A↗
DOE OSTI2021

Structure–Capacitance Relationships of Graphene/Ionic Liquid Electrolyte Double Layers

The differential capacitance profile of electrochemical interfaces reflects the physical properties of the double layer. For carbon electrodes and ionic liquid based electrolytes, these capacitance profiles are not fully understood. In this work, we utilize constant voltage molecular dynamics simulations to compute differential capacitance profiles of ionic liquids [BMIm + ][BF 4 - ] and [BMIm + ][TFSI - ] mixed with acetonitrile and 1,2-dichloroethane, at model graphene electrodes. We find that both pure and 10% mole fraction ionic liquid electrolytes exhibit camel shaped capacitance profiles with two peaks on either side of a minimum centered at the potential of zero charge. This profile shape results from electric field induced rearrangement of ion structure within the inner layer closest to the electrode interface. At low potential, the ionic liquid inner layer is concentrated with non-polar tri-fluoromethyl and butyl functional groups of the anions and cations, corresponding to the minimum of the capacitance profiles. With increasing voltage, electrostatic interactions of polar/charged functional groups with the electrode surface compete with these non-polar interactions, leading to ion rearrangement that increases the inner layer charge density and results in higher capacitance. After the ion restructuring is complete, the response saturates and capacitance diminishes. The presence of organic solvent significantly changes the composition of the inner layer. For example, strong non-polar interactions between dichloroethane molecules and the graphene surface substantially block ion/electrode contact at moderate potentials. Overall, our simulations highlight the dynamic nature of the inner region of organic electrolyte double layers, and the sensitive dependence on electrolyte composition and applied voltage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

New electric force and charge exchange modules in discrete element model enables particle dynamics simulation in electric field

Discrete element modeling (DEM) is an important technique for particle dynamics simulation. The field of metal additive manufacturing often utilizes DEM to simulate the rheological behaviors of powder. Standard contact and short-range interactions are sufficient in most cases but insufficient to describe the particle dynamics with the influence of an electric field. Modeling such a system requires additional physics to describe the particle–field interactions. The relevant physics has been experimentally understood but is not yet available in DEM. Here, we develop a charge exchange and an electric force module. The electric force module governs particle response to the electric field, while the charge exchange module enables particles to acquire proper charge during contact with charged geometries. We validate the modules against analytical calculations and high-speed videos of electrostatic powder deposition experiments. Notably, the model struggles to capture the initial particle levitation. We later deploy a modified electric field, as supported by static electric field simulation, to better approximate the electric field penetration into the powder layer. This modification improves the model’s capability of simulating realistic particle levitation. The results highlight the challenges of modeling particle behaviors in the electric field while demonstrating the feasibility of obtaining quantitative results, which are difficult to measure experimentally.

charge exchange↗
DOE OSTI2025

Mediation of Colloidal Encounter Dynamics by Surface Roughness

Rigorous understanding on the self-assembly of colloidal nanocrystals is crucial to develop tailored nanostructured materials for energy storage, sensing, and optical fields. Despite extensive studies on the self-assembly, a mechanistic understanding of self-assembly under an external field still remains an ongoing challenge. Here, in this work, we used optical tweezers that impose an external attractive force field, resulting in the self-assembly of alpha-phase sodium yttrium fluoride nanocrystals. The dynamic force that is strongly dependent on the surface roughness of the nanocrystals is shown to be a decisive factor for a direct contact between the nanocrystals, manifested by the roughness-dependent hydrodynamic resistivity and Langevin dynamic simulations. Our study provides direct evidence that the role of dynamics is equally important in understanding the self-assembly, which has been rarely observed in the self-assembly in contrast with many studies on the equilibrium forces. These results may have further impact in other fields, such as having explanatory power for the probability of nonclassical crystal growth or the structure of viral spike proteins that affect the probability of viruses binding with cells.

Felsted, Robert G. [Univ. of Washington, Seattle, ↗
NASA NTRS1994

Control of mechanical systems with rolling constraints: Application to dynamic control of mobile robots

There are many examples of mechanical systems that require rolling contacts between two or more rigid bodies. Rolling contacts engender nonholonomic constraints in an otherwise holonomic system. In this article, we develop a unified approach to the control of mechanical systems subject to both holonomic and nonholonomic constraints. We first present a state space realization of a constrained system. We then discuss the input-output linearization and zero dynamics of the system. This approach is applied to the dynamic control of mobile robots. Two types of control algorithms for mobile robots are investigated: trajectory tracking and path following. In each case, a smooth nonlinear feedback is obtained to achieve asymptotic input-output stability and Lagrange stability of the overall system. Simulation results are presented to demonstrate the effectiveness of the control algorithms and to compare the performane of trajectory-tracking and path-following algorithms.

Sarkar, Nilanjan↗
DOE OSTI2021

Modeling of transport in carrier-selective contacts in silicon heterojunction solar cells

High-performance silicon heterojunction (SHJ) solar cells use carrier-selective contact structures based on hydrogentated amorphous Si (a-Si:H) to maximize collection of photogenerated carriers. The high open circuit voltages observed experimentally in SHJ cells require that the carrier-selective contacts provide selectivity and passivation. However, a microscopic understanding of the dynamics of carrier transport through the a-Si layer is currently lacking. In this paper, we explicitly simulate the transport of holes across the a-Si:H(i) layer using a novel kinetic Monte Carlo approach. The hole-selective contact structure investigated in this paper uses p-type doped a-Si:H(p) and intrinsic a-Si:H(i) on an n-type crystalline silicon wafer, where the selectivity is provided by the a-Si:H(p) and the passivation is provided by the a-Si:H(i). However, in addition to the passivation provided by the a-Si:H(i), this layer also creates a potential barrier to the collection of photogenerated holes. There have been experimental studies in the literature that have suggested that multi-phonon processes are the main transport mechanism that assists in the transport of holes across the intrinsic a-Si:H barrier. Simulations presented here show that multi-phonon injection of holes into the a-Si:H(i) layer is the rate limiting step for transport across the a-Si:H(i) layer. Our results indicate that multi-phonon transport is strongly dependent on the electric field at the a-Si:H(i)/c-Si heterointerface as well. Transport simulations presented in this paper are consistent with experimental findings that multi-phonon processes limit transport across the a-Si:H(i) layer and are responsible for photocurrent suppression at the a-Si:H(i)/c-Si heterointerface when these processes are slower than the associated incident hole flux due to photo-excitation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Structural mechanisms for binding and activation of a contact-quenched fluorophore by RhoBAST

The fluorescent light-up aptamer RhoBAST, which binds and activates the fluorophore–quencher conjugate tetramethylrhodamine-dinitroaniline with high affinity, super high brightness, remarkable photostability, and fast exchange kinetics, exhibits excellent performance in super-resolution RNA imaging. Here we determine the co-crystal structure of RhoBAST in complex with tetramethylrhodamine-dinitroaniline to elucidate the molecular basis for ligand binding and fluorescence activation. The structure exhibits an asymmetric “A”-like architecture for RhoBAST with a semi-open binding pocket harboring the xanthene of tetramethylrhodamine at the tip, while the dinitroaniline quencher stacks over the phenyl of tetramethylrhodamine instead of being fully released. Molecular dynamics simulations show highly heterogeneous conformational ensembles with the contact-but-unstacked fluorophore–quencher conformation for both free and bound tetramethylrhodamine-dinitroaniline being predominant. The simulations also show that, upon RNA binding, the fraction of xanthene-dinitroaniline stacked conformation significantly decreases in free tetramethylrhodamine-dinitroaniline. This highlights the importance of releasing dinitroaniline from xanthene tetramethylrhodamine to unquench the RhoBAST–tetramethylrhodamine-dinitroaniline complex. Using SAXS and ITC, we characterized the magnesium dependency of the folding and binding mode of RhoBAST in solution and indicated its strong structural robustness. The structures and binding modes of relevant fluorescent light-up aptamers are compared, providing mechanistic insights for rational design and optimization of this important fluorescent light-up aptamer-ligand system.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Nature of Hyperfine Interactions in TbPc 2 Single-Molecule Magnets: Multiconfigurational Ab Initio Study

Lanthanide-based single-ion magnetic molecules can have large magnetic hyperfine interactions as well as large magnetic anisotropy. Recent experimental studies reported tunability of these properties by changes of chemical environments or by application of external stimuli for device applications. In order to provide insight onto the origin and mechanism of such tunability, here we investigate the magnetic hyperfine and nuclear quadrupole interactions for a 159 Tb nucleus in TbPc 2 (Pc = phthalocyanine) single-molecule magnets using multiconfigurational ab initio methods including spin–orbit interaction. Since the electronic ground and first-excited (quasi)doublets are well separated in energy, the microscopic Hamiltonian can be mapped onto an effective Hamiltonian with an electronic pseudospin S = 1/2. From the ab initio calculated parameters, we find that the magnetic hyperfine coupling is dominated by the interaction of the Tb nuclear spin with electronic orbital angular momentum. The asymmetric 4f-like electronic charge distribution leads to a strong nuclear quadrupole interaction with significant transverse terms for the molecule with low symmetry. The ab initio calculated electronic–nuclear spectrum including the magnetic hyperfine and quadrupole interactions is in excellent agreement with the experiment. We further find that the transverse quadrupole interactions significantly influence the avoided level crossings in magnetization dynamics and that the molecular distortions affect mostly the Fermi contact terms as well as the transverse quadrupole interactions. Synopsis Hyperfine interactions for 159 Tb nucleus in TbPc 2 single-molecule magnets are investigated from first-principles using multiconfigurational calculations. Strong nuclear quadrupole and magnetic hyperfine coupling are found, with the latter being dominated by the paramagnetic spin-orbital mechanism. Furthermore, we construct an ab initio pseudospin Hamiltonian and obtain the electronic-nuclear spectrum that is in excellent agreement with experiment. The Zeeman diagram is calculated, and the magnetization dynamics is discussed. The effects of molecular distortions are researched.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A Sobering Examination of the Feasibility of Aqueous Aluminum Batteries

Recent reports on aqueous aluminum (Al) batteries boast encouraging metrics including high energy density, nonflammability, and low raw material cost. However, the poorly understood solvation environment around the trivalent aluminum ions (Al3+) raises uncertainty regarding their feasibility. Furthermore, the corrosiveness of the acidic solutions and degree of hydration of aluminum trifluoromethanesulfonate (Al(OTf)3) salt is routinely mischaracterized. This study provides a rigorous examination of aqueous Al electrolytes, with the first compelling evidence for a dynamic octahedral solvation structure around Al3+ dominated by labile water and OH-, without Al-OTf contact ion pairs, at high concentrations. This solvation behavior and the concomitant electrostatic hydrolysis differs greatly from previously reported water-in-salt electrolytes, and occurs due to the high charge density of the Lewis acidic Al3+. Nuclear magnetic resonance spectroscopy and other physicochemical measurements quantitatively reveal how species activity evolves with concentration. The high proton activity observed in transport and electrochemical measurements constitutes a prohibitive barrier to the feasibility of rechargeable aluminum batteries with aqueous electrolyte.

Pastel, Glenn R.↗