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At least 127 records · Page 7

Exploring the Connection Between Sampling Problems in Bayesian Inference and Statistical Mechanics

The Bayesian and statistical mechanical communities often share the same objective in their work - estimating and integrating probability distribution functions (pdfs) describing stochastic systems, models or processes. Frequently, these pdfs are complex functions of random variables exhibiting multiple, well separated local minima. Conventional strategies for sampling such pdfs are inefficient, sometimes leading to an apparent non-ergodic behavior. Several recently developed techniques for handling this problem have been successfully applied in statistical mechanics. In the multicanonical and Wang-Landau Monte Carlo (MC) methods, the correct pdfs are recovered from uniform sampling of the parameter space by iteratively establishing proper weighting factors connecting these distributions. Trivial generalizations allow for sampling from any chosen pdf. The closely related transition matrix method relies on estimating transition probabilities between different states. All these methods proved to generate estimates of pdfs with high statistical accuracy. In another MC technique, parallel tempering, several random walks, each corresponding to a different value of a parameter (e.g. "temperature"), are generated and occasionally exchanged using the Metropolis criterion. This method can be considered as a statistically correct version of simulated annealing. An alternative approach is to represent the set of independent variables as a Hamiltonian system. Considerab!e progress has been made in understanding how to ensure that the system obeys the equipartition theorem or, equivalently, that coupling between the variables is correctly described. Then a host of techniques developed for dynamical systems can be used. Among them, probably the most powerful is the Adaptive Biasing Force method, in which thermodynamic integration and biased sampling are combined to yield very efficient estimates of pdfs. The third class of methods deals with transitions between states described by rate constants. These problems are isomorphic with chemical kinetics problems. Recently, several efficient techniques for this purpose have been developed based on the approach originally proposed by Gillespie. Although the utility of the techniques mentioned above for Bayesian problems has not been determined, further research along these lines is warranted

Pohorille, Andrew↗

Performance Evaluation of Staged Bosch Process for CO2 Reduction to Produce Life Support Consumables

Utilizing carbon dioxide to produce water and hence oxygen is critical for sustained manned missions in space, and to support both NASA's cabin Atmosphere Revitalization System (ARS) and In-Situ Resource Utilization (ISRU) concepts. For long term missions beyond low Earth orbit, where resupply is significantly more difficult and costly, open loop ARS, like Sabatier, consume inputs such as hydrogen. The Bosch process, on the other hand, has the potential to achieve complete loop closure and is hence a preferred choice. However, current single stage Bosch reactor designs suffer from a large recycle penalty due to slow reaction rates and the inherent limitation in approaching thermodynamic equilibrium. Developmental efforts are seeking to improve upon the efficiency (hence reducing the recycle penalty) of current single stage Bosch reactors which employ traditional steel wool catalysts. Precision Combustion, Inc. (PCI), with support from NASA, has investigated the potential for utilizing catalysts supported over short-contact time Microlith substrates for the Bosch reaction to achieve faster reaction rates, higher conversions, and a reduced recycle flows. Proof-of-concept testing was accomplished for a staged Bosch process by splitting the chemistry in two separate reactors, first being the reverse water-gas-shift (RWGS) and the second being the carbon formation reactor (CFR) via hydrogenation and/or Boudouard. This paper presents the results from this feasibility study at various operating conditions. Additionally, results from two 70 hour durability tests for the RWGS reactor are discussed.

Vilekar, Saurabh A.↗

Optimization of Turbine Engine Cycle Analysis with Analytic Derivatives

A new engine cycle analysis tool, called Pycycle, was recently built using the OpenMDAO framework. This tool uses equilibrium chemistry based thermodynamics, and provides analytic derivatives. This allows for stable and efficient use of gradient-based optimization and sensitivity analysis methods on engine cycle models, without requiring the use of finite difference derivative approximation methods. To demonstrate this, a gradient-based design optimization was performed on a multi-point turbofan engine model. Results demonstrate very favorable performance compared to an optimization of an identical model using finite-difference approximated derivatives.

Turbine engine↗

Constraining Arctic Climate Projections of Wintertime Warming With Surface Turbulent Flux Observations and Representation of Surface-Atmosphere Coupling

The drivers of rapid Arctic climate change—record sea ice loss, warming SSTs, and a lengthening of the sea ice melt season—compel us to understand how this complex system operates and use this knowledge to enhance Arctic predictability. Changing energy flows sparked by sea ice decline, spotlight atmosphere-surface coupling processes as central to Arctic system function and its climate change response. Despite this, the representation of surface turbulent flux parameterizations in models has not kept pace with our understanding. The large uncertainty in Arctic climate change projections, the central role of atmosphere-surface coupling, and the large discrepancy in model representation of surface turbulent fluxes indicates that these processes may serve as useful observational constraints on projected Arctic climate change. This possibility requires an evaluation of surface turbulent fluxes and their sensitivity to controlling factors (surface-air temperature and moisture differences, sea ice, and winds) within contemporary climate models (here Coupled Model Intercomparison Project 6). The influence of individual controlling factors and their interactions is diagnosed using a multi-linear regression approach. This evaluation is done for four sea ice loss regimes, determined from observational sea ice loss trends, to control for the confounding effects of natural variability between models and observations. The comparisons between satellite- and model-derived surface turbulent fluxes illustrate that while models capture the general sensitivity of surface turbulent fluxes to declining sea ice and to surface-air gradients of temperature and moisture, substantial mean state biases exist. Specifically, the central Arctic is too weak of a heat sink to the winter atmosphere compared to observations, with implications to the simulated atmospheric circulation variability and thermodynamic profiles. Models were found to be about 50% more efficient at turning an air-sea temperature gradient anomaly into a sensible heat flux anomaly relative to observations. Further, the influence of sea ice concentration on the sensible heat flux is underestimated in models compared to observations. The opposite is found for the latent heat flux variability in models; where the latent heat flux is too sensitive to a sea ice concentration anomaly. Lastly, the results suggest that present-day trends in sea ice retreat regions may serve as suitable observational constraints of projected Arctic warming.

turbulent fluxes↗

Second-law efficiency of solar-thermal cavity receivers

Properly quantified performance of a solar-thermal cavity receiver must not only account for the energy gains and losses as dictated by the First Law of thermodynamics, but it must also account for the quality of that energy. However, energy quality can only be determined from the Second Law. An equation for the Second Law efficiency of a cavity receiver is derived from the definition of available energy, which is a thermodynamic property that measures the maximum amount of work obtainable when a system is allowed to come into unrestrained equilibrium with the surrounding environment. The fundamental concepts of the entropy and availability of radiation were explored from which a workable relationship among the reflected cone half-angle, the insolation, and the concentrator geometric characteristics was developed as part of the derivation of the Second Law efficiency. First and Second Law efficiencies were compared for data collected from two receivers that were designed for different purposes. A Second Law approach to quantifying the performance of a solar-thermal cavity receiver lends greater insight into the total performance than does the conventional First Law method.

Moynihan, P. I.↗

Absorption of solar radiation by alkali vapors

A theoretical study of the direct absorption of solar radiation by the working fluid of high temperature, high efficiency energy converters has been carried out. Alkali vapors and potassium vapor in particular were found to be very effective solar absorbers and suitable thermodynamically for practical high temperature cycles. Energy loss via reradiation from a solar boiler was shown to reduce the overall efficiency of radiation-heated energy converters, although a simple model of radiation transfer in a potassium vapor solar boiler revealed that self-trapping of the reradiation may reduce this loss considerably. A study was also made of the requirements for a radiation boiler window. It was found that for sapphire, one of the best solar transmitting materials, the severe environment in conjunction with high radiation densities will require some form of window protection. An aerodynamic shield is particularly advantageous in this capacity, separating the window from the absorbing vapor to prevent condensation and window corrosion and to reduce the radiation density at the window.

Mattick, A. T.↗

Demixing kinetics of phase separated polymer solutions in microgravity

Phase separated solutions of two neutral polymers in buffer provide a useful and versatile medium for the partition separation of biological cells. However, the efficiency of such separations is orders of magnitude lower than the thermodynamic limit. To test the hypothesis that this inefficiency is at least partially due to the convection and sedimentation that occur during the gravity driven demixing that follows introduction of cells to the systems, a series of experiments were begun aimed at performing cell partition in a low g environment. Demixing of isopycnic three polymer solvent systems was studied, experiments were performed on KC-135 aircraft and one shuttle middeck experiment was completed. Analysis of the results of these experiments and comparisons with the predictions of scaling relations for the dependence of phase domain size on time, derived for a number of possible demixing mechanisms, are presented.

Brooks, D. E.↗

Methane Pyrolysis and Disposing Off Resulting Carbon

Sabatier/Electrolysis (S/E) is a leading process for producing methane and oxygen for application to Mars ISPP. One significant problem with this process is that it produces an excess of methane for combustion with the amount of oxygen that is produced. Therefore, one must discard roughly half of the methane to obtain the proper stoichiometric methane/oxygen mixture for ascent from Mars. This is wasteful of hydrogen, which must be brought from Earth and is difficult to transport to Mars and store on Mars. To reduced the problem of transporting hydrogen to Mars, the S/E process can be augmented by another process which reduces overall hydrogen requirement. Three conceptual approaches for doing this are (1) recover hydrogen from the excess methane produced by the S/E process, (2) convert the methane to a higher hydrocarbon or other organic with a lower H/C ratio than methane, and (3) use a separate process (such as zirconia or reverse water gas shift reaction) to produce additional oxygen, thus utilizing all the methane produced by the Sabatier process. We report our results here on recovering hydrogen from the excess methane using pyrolysis of methane. Pyrolysis has the advantage that it produces almost pure hydrogen, and any unreacted methane can pass through the S/E process reactor. It has the disadvantage that disposing of the carbon produced by pyrolysis presents difficulties. Hydrogen may be obtained from methane by pyrolysis in the temperature range 10000-12000C. The main reaction products are hydrogen and carbon, though very small amounts of higher hydrocarbons, including aromatic hydrocarbons are formed. The conversion efficiency is about 95% at 12000C. One needs to distinguish between thermodynamic equilibrium conversion and conversion limited by kinetics in a finite reactor.

Sharma, P. K.↗

Efficient Flowline Simulations of Ice Shelf-Ocean Interactions: Sensitivity Studies with a Fully Coupled Model

Thermodynamic flowline and plume models for the ice shelf-ocean system simplify the ice and ocean dynamics sufficiently to allow extensive exploration of parameters affecting ice-sheet stability while including key physical processes. Comparison between geophysically and laboratory-based treatments of ice-ocean interface thermodynamics shows reasonable agreement between calculated melt rates, except where steep basal slopes and relatively high ocean temperatures are present. Results are especially sensitive to the poorly known drag coefficient, highlighting the need for additional field experiments to constrain its value. These experiments also suggest that if the ice-ocean interface near the grounding line is steeper than some threshold, further steepening of the slope may drive higher entrainment that limits buoyancy, slowing the plume and reducing melting; if confirmed, this will provide a stabilizing feedback on ice sheets under some circumstances.

polar oceanography↗

Efficiency and economics of large scale hydrogen liquefaction

Liquid hydrogen is being considered as a substitute for conventional hydrocarbon-based fuels for future generations of commercial jet aircraft. Its acceptance will depend, in part, upon the technology and cost of liquefaction. The process and economic requirements for providing a sufficient quantity of liquid hydrogen to service a major airport are described. The design is supported by thermodynamic studies which determine the effect of process arrangement and operating parameters on the process efficiency and work of liquefaction.

Baker, C. R.↗

Extensions of the CSCM methodology for nonequilibrium reacting gas flows

The paper describes the extension of the CSCM flux difference splitting to produce conservative unconditionally stable implicit upwind methods for the extended equation set. The CSCM-S single data level relaxation algorithm is argued to be particularly advantageous for efficiently solving the set of equations. Attention is given to issues of alternative state variable representations and to complementary thermodynamic relations that parameterize and need to be effectively coupled with the solution procedure for the partial differential equations. Within the framework of iteration, consideration is given to more efficient approximate solution procedures than the full block coupled LU decomposition. Results of early numerical experiments are given to illustrate the developments.

Lombard, C. K.↗

NASA GRC Stirling Research Lab

The efficiency of conversion from thermal to electrical can be increased significantly by using the Stirling thermodynamic cycle •Alternate heating and cooling on volume of gas creates a pressure wave that drives a piston attached to an alternator •Heat can be supplied by any source –radioisotope •Cooling must also be provided for the waste heat portion of the cycle –radiant heat transfer to space •Up to 40% thermal-to-electric efficiency •Dynamic : has moving parts Cycle operation: •A displacer shuttles gas between the hot and cold ends to raise and lower the gas pressure •With displacer at the top, gas is pushed towards cold end, lowering the pressure •With displacer at the bottom, gas is pushed towards the hot-end, raising the pressure •The piston’s mechanical energy can then be utilized as desired –for electrical power it is coupled to an alternator •The motions of the piston and displacer can be controlled by mechanical linkages (kinematic) or by the working gas pressure (free piston)

Stirling Research Lab↗

H2 cycling and microbial bioenergetics in anoxic sediments

The simple biochemistry of H2 is central to a large number of microbial processes, affecting the interaction of organisms with each other and with the environment. In anoxic sediments, the great majority of microbial redox processes involve H2 as a reactant, product, or potential by-product, and the thermodynamics of these processes are thus highly sensitive to fluctuations in environmental H2 concentrations. In turn, H2 concentrations are controlled by the activity of H2-consuming microorganisms, which efficiently utilize this substrate down to levels which correspond to their bioenergetic limitations. Consequently, any environmental change which impacts the thermodynamics of H2-consuming organisms is mirrored by a corresponding change in H2 concentrations. This phenomenon is illustrated in anoxic sediments from Cape Lookout Bight, NC, USA: H2 concentrations are controlled by a suite of environmental parameters (e.g., temperature, sulfate concentrations) in a fashion which can be quantitatively described by a simple thermodynamic model. These findings allow us to calculate the apparent minimum quantity of biologically useful energy in situ. We find that sulfate reducing bacteria are not active at energy yields below -18 kJ per mole sulfate, while methanogenic archaea exhibit a minimum close to -10 kJ per mole methane.

Hoehler, Tori M.↗

Study, optimization, and design of a laser heat engine

Laser heat engine concepts, proposed for satellite applications, are analyzed to determine which engine concept best meets the requirements of high efficiency (50 percent or better), continuous operation in space using near-term technology. The analysis of laser heat engines includes the thermodynamic cycles, engine design, laser power sources, collector/concentrator optics, receiving windows, absorbers, working fluids, electricity generation, and heat rejection. Specific engine concepts, optimized according to thermal efficiency, are rated by their technological availability and scaling to higher powers. A near-term experimental demonstration of the laser heat engine concept appears feasible utilizing an Otto cycle powered by CO2 laser radiation coupled into the engine through a diamond window. Higher cycle temperatures, higher efficiencies, and scalability to larger sizes appear to be achievable from a laser heat engine design based on the Brayton cycle and powered by a CO laser.

Taussig, R. T.↗

Laser engines operating by resonance absorption

Basic tutorial article on the thermodynamic feasibility of laser engines at the present state of the art. Three main options are considered: (1) laser power applied externally to a heat reservoir (boiler approach); (2) internal heating of working fluid by resonance absorption; and (3) direct conversion of selective excitation into work. Only (2) is considered practically feasible at present. Basic concepts and variants, efficiency relations, upper temperature limits of laser engines, selection of absorbing gases, engine walls, bleaching, thermodynamic cycles of optimized laser engines, laser-powered turbines, laser heat pumps are discussed. Photon engines and laser dissociation engines are also considered.

Garbuny, M.↗

General Flow-Solver Code for Turbomachinery Applications

Phantom is a computer code intended primarily for real-fluid turbomachinery problems. It is based on Corsair, an ideal-gas turbomachinery code, developed by the same authors, which evolved from the ROTOR codes from NASA Ames. Phantom is applicable to real and ideal fluids, both compressible and incompressible, flowing at subsonic, transonic, and supersonic speeds. It utilizes structured, overset, O- and H-type zonal grids to discretize flow fields and represent relative motions of components. Values on grid boundaries are updated at each time step by bilinear interpolation from adjacent grids. Inviscid fluxes are calculated to third-order spatial accuracy using Roe s scheme. Viscous fluxes are calculated using second-order-accurate central differences. The code is second-order accurate in time. Turbulence is represented by a modified Baldwin-Lomax algebraic model. The code offers two options for determining properties of fluids: One is based on equations of state, thermodynamic departure functions, and corresponding state principles. The other, which is more efficient, is based on splines generated from tables of properties of real fluids. Phantom currently contains fluid-property routines for water, hydrogen, oxygen, nitrogen, kerosene, methane, and carbon monoxide as well as ideal gases.

Dorney, Daniel↗

Synthesis of multifilament silicon carbide fibers by chemical vapor deposition

A process for development of clean silicon carbide fiber with a small diameter and high reliability is presented. An experimental evaluation of operating conditions for SiC fibers of good mechanical properties and devising an efficient technique which will prevent welding together of individual filaments are discussed. The thermodynamic analysis of a different precursor system was analyzed vigorously. Thermodynamically optimum conditions for stoichiometric SiC deposit were obtained.

Revankar, Vithal↗