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At least 451 records · Page 25

Modeling of Laser Vaporization and Plume Chemistry in a Boron Nitride Nanotube Production Rig

Flow in a pressurized, vapor condensation (PVC) boron nitride nanotube (BNNT) production rig is modeled. A laser provides a thermal energy source to the tip of a boron ber bundle in a high pressure nitrogen chamber causing a plume of boron-rich gas to rise. The buoyancy driven flow is modeled as a mixture of thermally perfect gases (B, B2, N, N2, BN) in either thermochemical equilibrium or chemical nonequilibrium assuming steady-state melt and vaporization from a 1 mm radius spot at the axis of an axisymmetric chamber. The simulation is intended to define the macroscopic thermochemical environment from which boron-rich species, including nanotubes, condense out of the plume. Simulations indicate a high temperature environment (T > 4400K) for elevated pressures within 1 mm of the surface sufficient to dissociate molecular nitrogen and form BN at the base of the plume. Modifications to Program LAURA, a finite-volume based solver for hypersonic flows including coupled radiation and ablation, are described to enable this simulation. Simulations indicate that high pressure synthesis conditions enable formation of BN vapor in the plume that may serve to enhance formation of exceptionally long nanotubes in the PVC process.

Gnoffo, Peter A.↗

RCCS Testing with the Water-based NSTF: Year-1 Single-Phase Results

Under support from the Department of Energy (DOE) and the Office of Advanced Reactor Technologies (ART), a large scale test facility has been constructed to generate validation data for passive decay heat removal systems of advanced reactors. Located at Argonne National Laboratory, the Natural convection Shutdown heat removal Test Facility (NSTF) reflects key features of a ½ scale, water-based, Reactor Cavity Cooling System (RCCS). This report serves as a summary of the single-phase testing results obtained during the programs first year of matrix testing. An introduction to the high-level program objectives is first presented, followed by a brief summary of facility design, instrumentation, and control systems. Details of the NQA-1 driven test method are included, which govern the programs quality assurance requirements and provide a background for the testing strategy and procedures. Checkout activities, including verification of gross system mass and energy balances, heat loss quantification, and isothermal facility characterization, were performed early in the first year and results presented in this report. These tests have identified relevant facility characteristics such as K-factors, frictional pressure losses, parasitic heat loss rates, and transient heating response. Results are then presented from four accepted matrix tests where the facility established a steady-state, single-phase mode of flow operation. All matrix tests were performed with an identical top-level procedure: first initiating a heater power ramp to target levels, and then holding power levels constant until the facilities structural members and network piping reached thermal equilibrium. Upon obtaining stable thermal and hydraulic conditions, active cooling was initiated off of the bulk storage tank to maintain constant riser inlet temperatures of 30°C. This steady-state period was then held for a minimum required duration, at which point the heaters were ramped down and test concluded. The two baseline tests completed reflect conditions prototypic to the full scale plant at both normal operation, and design basis Depressurized Loss of Forced Cooling (DLOFC) conditions. These parameters are defined by full RCCS decay heat loads of 1.4 MWt and 2.1 MWt, which translate to NSTF scale thermal power levels of 34.4 kWt and 51.6 kWt, respectively. Two additional tests were also conducted, which repeated baseline cases but included modification by single parameter variations in decay heat load, or heater power, at 700 kWt, and 2.8 MWt. Finally, a scoping test was performed to demonstrate the facilities ability to operate in a two-phase mode of operation. The facility successfully operated for a 3-hour period at this mode, reaching peak inventory temperatures of 105°C and condensing approximately 50 gallons of boil-off inventory. The testing parameters for this demonstration were based off the design basis DLOFC condition, and will be the reference for new baseline cases as the program moves forward with two-phase matrix testing.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Laboratory Studies of Thermal Energy Charge Transfer of Silicon and Iron Ions in Astrophysical Plasmas

The laser ablation/ion storage facility at the UNLV Physics Department is dedicated to the study of atomic processes in low temperature plasmas. Our current program is directed to the study of charge transfer of multiply charged ions and neutrals that are of importance to astrophysics at energies less than 1 eV (about 10(exp 4) K). Specifically, we measure the charge transfer rate coefficient of ions such as N(2+), Si(3+), Si(3+), with helium and Fe(2+) with molecular and atomic hydrogen. All these ions are found in a variety of astrophysical plasmas. Their electron transfer reactions with neutral atoms can affect the ionization equilibrium of the plasma.

Kwong, Victor H. S.↗

Solution of non-isoenergetic supersonic flows by method of characteristics, volume 3

The calculation of supersonic flow fields by the method of characteristics. The theoretical approach to the solution of these flow fields and a computer program to implement the numerical solution of the flow equations are discussed. This versatile program has a flexible set of boundary conditions enabling the calculation of nozzles, plumes and many other complex flow fields. A complete derivation of the equations of motion for reacting gas systems is presented. An important consequence of this derivation is that, for the reaction assumptions which were made, the thermochemistry was shown to be uncoupled from the flow solution and as such could be solved separately. The methods of characteristics equations are shown to be formally the same for ideal, frozen, and equilibrium reacting gas mixtures.

Prozan, R. J.↗

Cryogenic Limb Array Etalon Spectrometer (CLAES) S/N001 cryostat test results

The results of a test program designed to verify the operational and thermal performance of the Cryogenic Limb Array Etalon Spectrometer (CLAES) S/N001 Ne/CO2 cryostat, as monitored and serviced by the Data Acquisition System and Ground Support Equipment, are presented. The S/N001 model test assembly consists of the S/N001 configuration coupled with an instrument thermal mass simulator (ITMS) for simulating the thermal behavior of the instrument package. The test data for the cryostat include the rate of temperature decrease of the various parts of the cryostat/ITMS and the final equilibrium temperatures of the shields, thermal links, and tank. The test results showed that system heat rates, operating temperatures, and expected end-of-life temperature predictions all agree with predictions within estimated margins.

Horsley, W. J.↗

Systematic generation of nonlinear discretized dynamic equilibrium equations of spinning cantilevers

General nonlinear discretized governing equations of motion of spinning elastic solids and structures are adjusted for the case of a spinning cantilever with initial geometric imperfections. Consideration is given to second degree nonlinearities in the strain-displacement and velocity-displacement relationships. Parameters of the discretization are developed to include the type and number of the coordinate functions used in the admissible trial solution in order to unify the discretization approaches associated with stationarity principles. The coordinate functions comprise both sets of continuous and piecewise continuous functions employed in the Rayleigh-Ritz and the finite element methods, respectively. Coefficient matrices are provided which contain the energy density expressions and which are adaptable to computer programming.

El-Essawi, M.↗

Morphology of Vapor-Deposited Acetonitrile Films

Crystalline acetonitrile has two polymorphs, a high temperature (HT) phase that is stable between 217 K and its melting point at 229 K, and a low temperature (LT) phase that is stable below 217 K. Solid acetonitrile films can be prepared by vapor deposition in an ultra-high vacuum chamber. To prevent sublimation of the film temperatures are often kept below 150 K. While the LT phase is thermodynamically favored at these low temperatures, such preparation usually results in the formation of the metastable HT polymorph. In this work we use reflection adsorption infrared spectroscopy (RAIRS) and temperature programmed desorption (TPD) experiments to investigate the effects of the deposition temperature and underlying substrate on the morphology of acetonitrile films prepared with molecular beam deposition. We obtained the elusive LT phase when dosing at 120 K on a graphene substrate and on a crystalline decane layer. Dosing acetonitrile on other surfaces produced the HT phase, as did annealing of amorphous films. We used TPD experiments to determine the Gibbs energy difference between the HT and LT phases. Our ΔG values agree with extrapolation of equilibrium calorimetry data. Furthermore, we also observed that acetonitrile films were amorphous when dosed at temperatures ≤ 60 K, and porous for temperatures ≤ 50 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effect of wind turbulence and shear on landing performance of jet transports

Computer simulations of a Boeing 727 class aircraft landing in turbulence were developed by programming the longitudinal aircraft equations of motion into a digital computer with various input values of vertical and horizontal wind speeds. Turbulent wind data was fed to the computer in one-second intervals. The computer computed in one-second intervals the aircraft speed, altitude, horizontal distance traveled, rate-of-descent, pitch attitude, glide path angle (from edge of runway) and elevator angle. All computer runs were made in the 'stick-fixed' mode. The RMS values of altitude and velocity perturbations (from equilibrium) were found to be large when horizontal wind gusts had sinusoidal components at or near the phugoid (long period) frequency. Maximum RMS altitude deviations occurred when the vertical wind had sinusoidal components which were 1/10 to 1/5 of the phugoid frequency. When real wind data (obtained from NCAR Queen Air) were used as input winds good correlations were found to exist between RMS velocity perturbations and both horizontal and vertical wind shears.

Blick, E. F.↗

Preliminary Design of a New Pulsed-Neutron Die--Away Experiments with Absorbers (IER-552 CED-1)

This report presents the preliminary design (CED-1) of IER-552, pulsed-neutron die-away (PNDA) experiments with absorbers, to be conducted by Lawrence Livermore National Laboratory (LLNL). The goal of the PNDA experiments with absorbing materials is to produce high-quality, low-cost integral benchmarks that can be used to validate cross sections that are high priority nuclear data for the Department of Energy’s Nuclear Criticality Safety Program (NCSP). PNDA experiments can be used to generate nuclear data validation benchmarks quickly and cheaply, as they do not require fissile material or a nuclear facility to conduct them. The original PNDA experiments were set up at LLNL under IER-501. Extending the PNDA experiments to include absorbing materials leverages existing facilities and resources at LLNL to validate cross sections, with a basic experiment design that uses a neutron generator to impinge a short, mono-energetic neutron pulse on a poisoned, moderating target sample. The neutron pulse lasts 100 µs, after which the neutron population in the sample reaches thermal equilibrium and later spatial equilibrium. In this fully equilibrized state, the neutron population has a characteristic decay-time eigenvalue. The eigenvalue can be used as an integral parameter to validate nuclear data involved with neutron scattering and absorption. Two observables can be measured: the neutron population and the population of secondary γ-rays produced by inelastic and capture reactions. This report explores the feasibility of both approaches. For γ-ray measurements, this allows for direct measurement of reactions of interest for validation. During the neutron burst time, inelastic (prompt) γ-rays dominate, and these data can be isolated for validation of neutron inelastic scattering data. After the pulse ends, neutron capture (delayed) γ-rays dominate and are produced by many reaction channels as neutrons slow down to thermal energies. Two sets of γ-ray spectra (inelastic, capture) can be produced for validation. Additionally, the time-dependent decay of the capture γ-ray population when the neutron population is thermalized and in its fundamental mode can be used for validation. Two experiments can be imagined where pulsed neutrons are used to validate the nuclear data of absorbing materials. The first integrates well into the existing PNDA testbed at LLNL. The absorber material would be introduced into a moderating target and the same neutron generator, neutron detectors, electronics, and shielding box used for IER-501 would be employed. From the same experimental setup, many absorbing materials can be validated by simply changing the neutron poison in the moderator. The only significant modification would be the introduction of a γ-ray detector. Such an experiment would primarily serve to validate nuclear data in the thermal energy range. The second kind of experiment would validate the fast and epithermal energy range. It would involve pulsing neutron into a bare assembly of the absorber material and measuring the die-away of neutrons. The fast leakage of such an assembly requires nanosecond neutron-generator pulse widths and fast detectors/electronics that could measure ~200 ns die-away curves. This kind of experiment would ideally be performed at a cyclotron, like that available at Lawrence Berkeley National Laboratory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Effect of Impurity Atoms on Thermonuclear Yield

The presence of impurity atoms in an inertial confinement fusion (ICF) implosion can greatly affect the burning of the thermonuclear fuel. This is a serious concern for attaining ignition as high atomic number atoms, such as carbon, can mix into the hot spot and reach the deuterium–tritium (DT) fuel, absorb energy from the implosion, and radiate away that energy. The temperature of the DT fuel drops and reduces the reactivity of the fuel resulting in lower thermonuclear yield. Fuel impurities can also be a useful diagnostic as when higher-Z atoms, such as Ar, Kr, and Xe, are purposefully mixed into the fuel. From the spectra emitted by these atoms, the temperature and density of the fuel can be deduced. The long history of using such tracer atoms by the national ICF program shows the great advances in experimental technique, diagnostic instruments, and atomic-physics modeling over the past 50 years. A particular set of experiments, the “High-Z” campaign, is reviewed in depth as this was the most systematic study of tracer element composition and quantity ever reported. Difficulties in interpreting the results of those experiments due to the limited code capabilities at that time are discussed. A main concern for the High-Z campaign was the then current state of non-Local Thermodynamic Equilibrium (nLTE) atomic physics models. The present state of nLTE modeling and its implementation in Los Alamos’s multi-physics codes is discussed in this report. To further the understanding of the complex interaction of high-Z atoms in the gas, a survey of relevant existing experimental platforms at the National Ignition Facility (NIF) and the Omega Laser Facility are presented along with the current state of pertinent diagnostics at NIF and Omega. This review concludes with a discussion of the trade-off available between temperature and volume of the imploded ICF capsule with the goal of maximizing the total yield.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Habitability: CAMELOT 4

During 1988 to 1989 the NASA/USRA Advanced Design Program sponsored research and design efforts aimed at developing habitability criteria and at defining a habitability concept as a useful tool in understanding and evaluating dwellings for prolonged stays in extraterrestrial space. The Circulating Auto sufficient Mars-Earth Luxurious Orbital Transport (CAMELOT) was studied as a case in which the students would try to enhance the quality of life of the inhabitants by applying architectural design methodology. The study proposed 14 habitability criteria considered necessary to fulfill the defined habitability concept, which is that state of equilibrium that results from the interaction between components of the Individual Architecture Mission Complex, which allows a person to sustain physiological homeostatis, adequate performance, and acceptable social relationships. Architecture, design development, refinements and revisions to improve the quality of life, new insights on artificial gravity, form and constitution problems, and the final design concept are covered.

Alequin, W.↗

Molecular Simulation of the Catalytic Regeneration of n BuLi through a Hydrometalation Route

Efficient regeneration of organolithium compounds is a challenging aspect in the process of novel organometathetical catalytic cycles. A new method for Mg production from seawater has been proposed that capitalizes on the rich chemistry of Grignard reagents. Based on a 3-step catalytic cycle with Cp2MClL catalyst (M=Ti, Zr and L select organic ligands), it requires the regeneration of nBuLi. The potential of the proposed approach is evaluated with density functional theory based molecular simulations. The results reveal that the high affinity of Li towards Cl and N results in the formation of alkanes, and the strong coupling of catalyst and BuLi leads to catalyst deactivation. To improve its catalytic performance, we proposed the use of a diamine co-catalyst and a modified catalyst with a ligand that does not contain N, which would help release BuLi from the vicinity of the catalyst. Ab inito molecular dynamics simulations at 298 K in explicit solvent (THF) were used to estimate the Gibb’s free energetics and equilibrium constants obtained from the vibrational density of states. The results show a marked improvement in the free-energetics with lower barriers towards the completion of the catalytic cycle and suppression of de-activation channels. M.-S. L. and B. P. M. were supported by the US Department of Energy (DOE), Advanced Research Projects Agency for Energy performed at the Pacific Northwest National Laboratory (PNNL). V.-A. G. and R. R. were supported by DOE, Office of Science, Office of Basic Energy Sciences-CGBS Catalysis Program. Computational resources were provided by PNNL Research Computing Cluster and the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231.

Lee, Mal-Soon (ORCID:000000016851177X)↗

Some observations on the characteristics of low-cost silicon sheets

To meet the need for low cost silicon sheet material in the ERDA/JPL photovoltaics program, JPL has initiated a wide ranging technology development effort in crystal growth that includes several different technology thrusts. They range in scope from innovative ingot growth and multislice wafering, to shaped growth techniques, substrate-related processes and hot forming techniques. In this paper, some salient observations on materials resulting from these processes are reported. Included are multiblade wafering-induced damage studies, interface morphology studies on the heat exchanger cast silicon, some diffusion length measurements in thin silicon layers on ceramic substrates, and results on the equilibrium structure found in laser zone ribbon growth.

Digges, T. G., Jr.↗

The 1973-1984 Solar Modulation of Cosmic Ray Nuclei

As a continuation of the program of solar modulation studies, new measurements were carried out with the cosmic ray telescope on the Earth satellite IMP-8, of the intensity time variations and the energy spectra of galactic cosmic ray protons, helium, carbon and oxygen from 1980 through 1984 including the recent solar maximum. In order to test the applicability of a steady state model of solar modulation during a period which includes times of rapidly changing modulation, these fluxes were equated with the predictions of a conventional model of solar modulation which assumes equilibrium between modulation mechanisms. It is found that for a reasonable range of variations of the diffusion coefficient the model predictions can be made to agree with the measurements at essentially all times during the studied period. The model can account also for the observed hysteresis effects between cosmic rays of different rigidities.

Garcia-Munoz, M.↗

Infrared Signature Masking by Air Plasma Radiation

This report summarizes the results obtained during a research program on the infrared radiation of air plasmas conducted in the High Temperature Gasdynamics Laboratory at Stanford University under the direction of Professor Charles H. Kruger, with Dr. Christophe O. Laux as Associate Investigator. The goal of this research was to investigate the masking of infrared signatures by the air plasma formed behind the bow shock of high velocity missiles. To this end, spectral measurements and modeling were made of the radiation emitted between 2.4 and 5.5 micrometers by an atmospheric pressure air plasma in chemical and thermal equilibrium at a temperature of approximately 3000 K. The objective was to examine the spectral emission of air species including nitric oxide, atomic oxygen and nitrogen lines, molecular and atomic continua, as well as secondary species such as water vapor or carbon dioxide. The cold air stream injected in the plasma torch contained approximately 330 parts per million of CO2, which is the natural CO2 concentration in atmospheric air at room temperatures, and a small amount of water vapor with an estimated mole fraction of 3.8x10(exp -4).

Kruger, Charles H.↗

Portable high-speed photometry systems for observing occultations

Because of their high spatial resolution, stellar occultations have proven extremely effective for learning about planetary upper atmospheres, asteroids, and planetary rings. The ring orbit studies for Uranus have been particularly fruitful because researchers have been able, through occultations, to obtain data of high spatial resolution (approximately 2 km) at the rate of 1 to 2 times per year. THe occultation program at M.I.T. involves: (1) identifying the scientific questions that can be answered by occultation events, (2) predicting the zone of visibilty for the useful events, (3) maintaining and improving a set of portable high-speed photometric systems, (4) obtaining the observations, and (5) reducing the data and interpreting the results. Accomplishments during the past year include: (1) a comprehensive analysis of stellar occultation data to obtain an oblateness for Uranus at the 10 ubar level of 0.0193 plus or minus 0.0010, a value consistent with the planet being in hydrostatic equilibrium and undergoing rotation at the period found by Voyger; (2) establishing an upper limit of 0.004 km on the equivalent depth of 1986U1R from 2.2 micrometer occultation data; (3) the discovery of low-amplitude waves on the edges of the epsilon ring of Uranus; and (4) the acquisition of several hundred charge coupled device strip scans of 6 weeks at Mauna Kea for the purpose of generating a prediction for the stellar occultation of Pluto.

Elliot, James L.↗

Transitional cores and fuel cycle analyses in support of MIT reactor low enriched uranium fuel conversion

The Massachusetts Institute of Technology Reactor (MITR) is a research reactor in Cambridge, Massachusetts designed primarily for experiments using neutron beam and in-core irradiation facilities. At 6 MW, it delivers neutron flux and energy spectrum comparable to power light water reactors (LWRs) in a compact core using highly enriched uranium (HEU) fuel. In the framework of non-proliferation policy, research and test reactors have started a program to convert HEU fuel to low enriched uranium (LEU) fuel. A new type of LEU fuel based on a high density alloy of uranium and molybdenum (U-10Mo) is expected to allow conversion of U.S. high performance research reactors (USHPRRs) like the MITR. The Preliminary Safety Analysis Report (PSAR) for the MITR LEU conversion has been submitted and currently under review by the U.S. Nuclear Regulatory Commission (NRC). A transition core plan, from 22 fresh LEU fuel elements (i.e., beginning-of-life) gradually to 24 of them arranged in an equilibrium configuration, is expected to serve as an appendix chapter in the final SAR. The current study reported here presents the fuel cycle development, which eventually leads to the transition core plan. The results confirm the equilibrium state, where both the shim bank movement (i.e., core reactivity) as well as the content of fissile materials stabilize, can be achieved by fixed-pattern fuel management. Fission density has been evaluated for a number of fully discharged LEU fuel elements, using a best-estimate approach. The fuel cycle calculations also generate power profiles at each core state. A steady-state thermal-hydraulic safety analysis has thus been performed, where onset of nucleate boiling (ONB) is considered as the safety criterion. The results confirm significant margin to ONB at all analyzed transition and equilibrium fuel cycle states.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Exploring the impact of the local environment on charge transfer states at molecular donor-acceptor heterojunctions

This program explored a broad range of charge transfer (CT) states in organic solar cells with the goal of understanding how molecular energetics, structure, and morphology influence CT state energy and dynamics, and how this in turn influences solar cell performance. We identified new types of delocalized CT states at ordered molecular heterojunctions, determined the factors that dictate CT state energetic disorder in bulk heterojunctions, determined that hot CT state dissociation is negligible for most systems, that the occupation of CT states is generally non-thermal in disordered heterojunctions, and that quasi-equilibrium generally does not hold in organic solar cells. These findings allowed us to demonstrate the lowest loss in potential of any organic solar cell to date and provide valuable guidance for designing higher efficiency organic solar cells in the future.

14 SOLAR ENERGY↗