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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 1,009 records · Page 56
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Uranium (VI) Adsorbate Structures on Portlandite [Ca(OH)2] Type Surfaces Determined by Computational Modelling and X-ray Absorption Spectroscopy

Portlandite [Ca(OH) 2 ] is a potentially dominant solid phase in the high pH fluids expected within the cementitious engineered barriers of Geological Disposal Facilities (GDF). This study combined X-ray Absorption Spectroscopy with computational modelling in order to provide atomic-scale data which improves our understanding of how a critically important radionuclide (U) will be adsorbed onto this phase under conditions relevant to a GDF environment. Such data are fundamental for predicting radionuclide mass transfer. Surface coordination chemistry and speciation of uranium with portlandite [Ca(OH) 2 ] under alkaline groundwater conditions (ca. pH 12) were determined by both in situ and ex situ grazing incidence extended X-ray absorption fine structure analysis (EXAFS) and by computational modelling at the atomic level. Free energies of sorption of aqueous uranyl hydroxides, [UO 2 (OH) n ] 2–n (n = 0–5) with the (001), (100) and (203) or (101) surfaces of portlandite are predicted from the potential of mean force using classical molecular umbrella sampling simulation methods and the structural interactions are further explored using fully periodic density functional theory computations. Although uranyl is predicted to only weakly adsorb to the (001) and (100) clean surfaces, there should be significantly stronger interactions with the (203/101) surface or at hydroxyl vacancies, both prevalent under groundwater conditions. The uranyl surface complex is typically found to include four equatorially coordinated hydroxyl ligands, forming an inner-sphere sorbate by direct interaction of a uranyl oxygen with surface calcium ions in both the (001) and (203/101) cases. In contrast, on the (100) surface, uranyl is sorbed with its axis more parallel to the surface plane. The EXAFS data are largely consistent with a surface structural layer or film similar to calcium uranate, but also show distinct uranyl characteristics, with the uranyl ion exhibiting the classic dioxygenyl oxygens at 1.8 Å and between four and five equatorial oxygen atoms at distances between 2.28 and 2.35 Å from the central U absorber. These experimental data are wholly consistent with the adsorbate configuration predicted by the computational models. These findings suggest that, under the strongly alkaline conditions of a cementitious backfill engineered barrier, there would be significant uptake of uranyl by portlandite to inhibit the mobility of U(VI) from the near field of a geological disposal facility.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Exploring the Regimes of Particle Behavior upon Impact via the Discrete Element Method

Discrete element method simulations are conducted to probe the various regimes of post-impact behavior of particles with solid surfaces. The impacting particles are described as spherical agglomerates consisting of smaller constituent (or primary) particles held together via surface adhesion. Under the influence of a wide range of impact velocities and particle surface energies, five distinct behavioral regimes—rebounding, vibration, fragmentation, pancaking, and shattering—are identified, and force transmission patterns are linked to post-impact behavior. In the rebounding regime, the coefficient of restitution decreases linearly as impact velocity increases and the particle agglomerate experiences compaction. In the fragmentation regime, rebound velocity generally decreases with increasing fragment size. The rebound velocity of fragments decreases with time except for the smallest fragments, which can increase in velocity due to collisions with other fragments of high velocity. Particle breakage in the pancaking regime does not follow common mechanistic models of breakage.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Nuclear Data Impact on Key Metrics for a Representative Molten Chloride Fast Reactor Model

Nuclear data are an essential component of the foundation on which all modeling and simulation methods and tools are relying upon, from the front end to the back end of the nuclear fuel cycle. In this study, the impact of uncertainties in nuclear data is investigated for a representative molten chloride fast reactor, for several important metrics, including eigenvalue, reactivity differences, and nuclide inventories in fuel at 5-yr irradiation. Uncertainty of keff for a full core model was found to be similar between the fresh fuel and the irradiated fuel states (1.7-1.8%), with its primary driver being the uncertainty in the 235U (n,γ) cross section. The results obtained for the reactivity differences show large uncertainties, of over 100%, in elastic scattering sensitivities of several nuclides, which led to large uncertainties of temperature reactivity differences for cladding and reflector. These results provide evidence that the currently applied methods may not be sufficiently adequate for ensuring the reliable determination of such metrics.

Procop, Germina [ORNL] (ORCID:0000000342226393)↗
NASA NTRS1970

The Nike canted-fin Apache

Nike-Apache sounding rocket vehicle with canted fins, examining pitch-roll coupling characteristics by equilibrium and dynamic simulation methods

Mayo, E. E.↗
NASA NTRS1971

Nuclear electromagnetic cascades from nuclei with Z larger than or equal to 3

A Monte Carlo simulation method was developed for studying nuclear-electromagnetic cascades initiated by high energy nuclei with Z or = 3 incident on heavy absorbers. The calculations are based on a cascade model which was first adjusted until it agreed with measurements made with protons at an accelerator. Modifications of the model used for protons include the incorporation of the probabilities for fragmentation of heavy nuclei into lighter nuclei, alpha particles, and nucleons. Mean values and fluctuations of the equivalent numbers of particles in the cascades at various depths in an iron absorber are presented for protons, carbon, and iron nuclei over the 30 to 300 GeV/nucleon energy range.

Jones, W. V.↗
NASA NTRS1972

Design considerations for combined radiation effects facilities for twelve year outer planet spacecraft voyages

The design considerations influencing the choice and utility of environmental simulation methods and facilities are described, insofar as they relate to the requirements imposed on outer planet spacecraft because of radiation environments to be expected. Possible means for duplicating the radioisotope thermoelectric generator radiation environment, and for duplicating the effects of the trapped radiation belt environment are described, together with an assessment of radiation levels to be expected in the vicinity of an environmental testing chamber when in use.

Miller, C. G.↗
NASA NTRS1972

Design and flight experience with a digital fly-by-wire control system using Apollo guidance system hardware on an F-8 aircraft.

This paper discusses the design and initial flight tests of the first digital fly-by-wire system to be flown in an aircraft. The system, which used components from the Apollo guidance system, was installed in an F-8 aircraft. A lunar module guidance computer is the central element in the three-axis, single-channel, multimode, digital, primary control system. An electrohydraulic triplex system providing unaugmented control of the F-8 aircraft is the only backup to the digital system. Emphasis is placed on the digital system in its role as a control augmentor, a logic processor, and a failure detector. A sampled-data design synthesis example is included to demonstrate the role of various analytical and simulation methods. The use of a digital system to implement conventional control laws was shown to be practical for flight. Logic functions coded as an integral part of the control laws were found to be advantageous. Verification of software required an extensive effort, but confidence in the software was achieved. Initial flight results showed highly successful system operation, although quantization of pilot's stick and trim were areas of minor concern from the piloting standpoint.

Deets, D. A.↗
NASA NTRS1973

A reactive torque control law for gyroscopically controlled space vehicles

A method of control is developed based on the reactive torques as seen by the individual CMG gimbals. The application of a torque to the gimbal of a CMG rotates the momentum vector and applies a torque to the spacecraft according to well-known laws. The response (rotation) of the vehicle produces a reverse or reaction torque opposing the torque producing the gimbal movement. The reactive torque and the pseudoinverse control schemes are contrasted in order to point out the simplicity of the first method. Simulation was performed only to the extent necessary to prove that reactive torque stabilization and control is feasible.

Farmer, J. E.↗
NASA NTRS1973

Capabilities of electrodynamic shakers when used for mechanical shock testing

The results of a research task to investigate the capabilities of electrodynamic vibrators (shakers) to perform mechanical shock tests are presented. The simulation method employed was that of developing a transient whose shock response spectrum matched the desired shock response spectrum. Areas investigated included the maximum amplitude capabilities of the shaker systems, the ability to control the shape of the resultant shock response spectrum, the response levels induced at frequencies outside the controlled bandwidth, and the nonlinearities in structural response induced by a change in test level.

Keegan, W. B.↗
NASA NTRS1975

Cost effective dynamic design and test requirements for Shuttle payloads

The results of a study examining current spacecraft dynamic design and test requirements for the cost effective design and development of Shuttle payloads are presented. Dynamic environments, payload configurations, design/test requirements, test levels, assembly level of testing, simulation methods, prototype role, load limiting, test facilities, and flight measurements are discussed as they relate to the development of a cost effective design and test philosophy for Shuttle Spacelab payloads. It is concluded that changes to current design/test practices will minimize long range payload costs. However, changes to current practices need be quantitatively evaluated before an orderly progression to more cost effective methods can be achieved without undue risk of mission failures. Of major importance is optimization of test levels and plans for payloads and payload subsystems which will result in minimum project costs.

Stahle, C. V.↗
NASA NTRS1976

Low temperature simulation of subliming boundary layer flow in Jupiter atmosphere

A low-temperature approximate simulation for the sublimation of a graphite heat shield under Jovian entry conditions is studied. A set of algebraic equations is derived to approximate the governing equation and boundary conditions, based on order-of-magnitude analysis. Characteristic quantities such as the wall temperature and the subliming velocity are predicted. Similarity parameters that are needed to simulate the most dominant phenomena of the Jovian entry flow are also given. An approximate simulation of the sublimation of the graphite heat shield is performed with an air-dry-ice model. The simulation with the air-dry-ice model may be carried out experimentally at a lower temperature of 3000 to 6000 K instead of the entry temperature of 14,000 K. The rate of graphite sublimation predicted by the present algebraic approximation agrees to the order of magnitude with extrapolated data. The limitations of the simulation method and its utility are discussed.

Chen, C. J.↗
NASA NTRS1979

Geometry dependence of optical pulse broadening in multiple scattering media

A Monte Carlo simulation method has been used to evaluate the temporal response at a variety of receivers to an instantaneous laser pulse input to a turbid medium. The results are compared to the description of the ensemble of all transmitted photons for which a diffusion theory was developed. It was shown that the arrival times for all photons transmitted through the cloud are exponentially distributed with a mean time that varies as the product of the cloud thickness and the momentum transfer optical depth. For large optical depths the mean time delay associated with all reflected photons was found to depend only on the cloud thickness. The impulse response function for receivers on the beam axis varied with field of view and for small fields of view it was dominated by single scattering even for optically thick clouds. In these cases, the mean time delay could be up to 10 to the 6th times shorter than that associated with all transmitted photons with a related increase in the maximum modulation frequency.

Thomas, R. W. L.↗
NASA NTRS1981

Theory of inhomogeneous fluids

A theory of nonuniform liquids is presented which is based on the Yvon-Born-Green equation for the one-particle density and the Ornstein-Zernike equation of an inhomogeneous system. The necessary closure is effected by exploiting the solution of a modified hypernetted-chain equation and making a local approximation on the (highly universal) bridge function. The theory is successfully applied to model problems that have also been studied by direct-simulation methods. A brief generalization to quantum liquids is also given.

Nieminen, R. M.↗