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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structural and Electronic Properties of Interfaces in Graphene and Hexagonal Boron Nitride Lateral Heterostructures

The in-plane heterostructures composed of graphene and hexagonal boron nitride (G/BN), as the first kind of two-dimensional metal/semiconductor heterostructures of one-atom thickness, are attractive for both fundamental low-dimensional physics and nanoscale devices because of the tailorable electronic properties. The atomic structures and electronic properties of interfaces in lateral G/BN heterostructures are investigated by first-principles calculations. The symmetric armchair interfaces have a similar formation energy but a larger band gap compared with the nonsymmetric interfaces. G/BN heterostructures with zigzag-type interfaces constructed under the guide of Clar’s rule are found to possess a lower formation energy than those with abrupt interfaces and open a finite band gap. In addition to the zigzag and armchair interfaces, other misorientated interfaces with pentagon and heptagon rings are also stable with low formation energies of 4.4–6.8 eV/nm. These theoretical results are important to clarify the correlation between atomic structures and electronic properties of in-plane G/BN heterostructures and establish a fundamental picture for further theoretical studies and device design.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Confinement-mediated phase behavior of hydrocarbon fluids: Insights from Monte Carlo simulations

The phase behavior of hydrocarbon fluids confined in porous media has been discussed to deviate significantly from that in the bulk environment due to the existence of sub-10nm pores. Though experiments and simulations have measured the bubble/dew points and sorption isotherms of hydrocarbons confined in both natural and synthetic nanopores, the confinement effects in terms of the strength of fluid-pore interactions tuned by surface wettability and chemistry have received comparably less discussion. More significantly, the underlying physics of confinement-induced phenomena remain obfuscated. In this work, we studied the phase behavior and capillary condensation of n-hexane to understand the effects of confinement at the molecular level. To systematically investigate the pore effects, we constructed two types of wall confinements; one is a structureless virtual wall described by the Steele potential and the other one is an all-atom amorphous silica structure with surface modified by hydroxyl groups. Our numerical results demonstrated the importance of fluid-pore interaction, pore size, and pore morphology effects in mediating the pressure-volume-temperature (PVT) properties of hydrocarbons. The most remarkable finding of this work was that the saturation pressure predicted from the van der Waals-type adsorption isothermal loop could be elevated or suppressed relative to the bulk phase, as illustrated in the graphical abstract. As the surface energy (i.e., fluid-pore interaction) decreased, the isothermal vapor pressure increased, indicating a greater preference for the fluid to exist in the vapor state. Sufficient reduction of the fluid-pore interactions could even elevate the vapor pressure above that of the bulk fluid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A Novel Modeling Framework for Computationally Efficient and Accurate Real-Time Ensemble Flood Forecasting With Uncertainty Quantification

A novel modeling framework that simultaneously improves accuracy, predictability, and computational efficiency is presented. It embraces the benefits of three modeling techniques integrated together for the first time: surrogate modeling, parameter inference, and data assimilation. The use of polynomial chaos expansion (PCE) surrogates significantly decreases computational time. Parameter inference allows for model faster convergence, reduced uncertainty, and superior accuracy of simulated results. Ensemble Kalman filters assimilate errors that occur during forecasting. To examine the applicability and effectiveness of the integrated framework, we developed 18 approaches according to how surrogate models are constructed, what type of parameter distributions are used as model inputs, and whether model parameters are updated during the data assimilation procedure. We conclude that (1) PCE must be built over various forcing and flow conditions, and in contrast to previous studies, it does not need to be rebuilt at each time step; (2) model parameter specification that relies on constrained, posterior information of parameters (so-called Selected specification) can significantly improve forecasting performance and reduce uncertainty bounds compared to Random specification using prior information of parameters; and (3) no substantial differences in results exist between single and dual ensemble Kalman filters, but the latter better simulates flood peaks. The use of PCE effectively compensates for the computational load added by the parameter inference and data assimilation (up to ~80 times faster). Therefore, the presented approach contributes to a shift in modeling paradigm arguing that complex, high-fidelity hydrologic and hydraulic models should be increasingly adopted for real-time and ensemble flood forecasting.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Development of building energy asset rating using stock modelling in the USA

The US Building Energy Asset Score helps building stakeholders quickly gain insight into the efficiency of building systems (envelope, electrical and mechanical systems). A robust, easy-to-understand 10-point scoring system was developed to facilitate an unbiased comparison of similar building types across the country. The Asset Score does not rely on a database or specific building baselines to establish a rating. Rather, distributions of energy use intensity (EUI) for various building use types were constructed using Latin hypercube sampling and converted to a series of stepped linear scales to score buildings. A score is calculated based on the modelled source EUI after adjusting for climate. A web-based scoring tool, which incorporates an analytical engine and a simulation engine, was developed to standardize energy modelling and reduce implementation cost. This paper discusses the methodology used to perform several hundred thousand building simulation runs and develop the scoring scales.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2015

Verification of EPA's ''Preliminary Remediation Goals for radionuclides'' (PRG) electronic calculator

The U.S. Environmental Protection Agency (EPA) requested an external, independent verification study of their updated “Preliminary Remediation Goals for Radionuclides” (PRG) electronic calculator. The calculator provides PRGs for radionuclides that are used as a screening tool at Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) and Resource Conservation and Recovery Act (RCRA) sites. These risk-based PRGs establish concentration limits under specific exposure scenarios. The purpose of this verification study is to determine that the calculator has no inherit numerical problems with obtaining solutions as well as to ensure that the equations are programmed correctly. There are 167 equations used in the calculator. To verify the calculator, all equations for each of seven receptor types (resident, construction worker, outdoor and indoor worker, recreator, farmer, and composite worker) were hand calculated using the default parameters. The same four radionuclides (Am-241, Co-60, H-3, and Pu-238) were used for each calculation for consistency throughout.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Low-Load Space Conditioning Needs Assessment

Heating, ventilating, and air-conditioning (HVAC) equipment must be right-sized to ensure energy performance and comfort. With limited low-load options in the HVAC market, many new-construction housing units are being fitted with oversized equipment that creates system efficiency, comfort, and cost penalties. To bridge the gap between currently available HVAC equipment that is oversized or inefficient and the rising demand for low-load HVAC equipment in the marketplace, HVAC equipment manufacturers need to be fully aware of the needs of the multifamily building and attached single-family (duplex and townhouse) home market. Over the past decade, Steven Winter Associates, Inc. (SWA) has provided certification and consulting services for hundreds of housing projects and has accrued a large pool of data that describe multifamily and attached single-family home characteristics. The U.S. Department of Energy’s Building America research team Consortium for Advanced Residential Buildings (CARB) compiled and analyzed these data to outline the characteristics of low-load dwellings such as the heating and cooling design loads.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Historic Significance and Current Condition Assessment of Building 06-CP-10, Device Assembly Building, Area 6, Nevada National Security Site, Nye County, Nevada

This report was produced in partial fulfillment of the mitigation of adverse effects to Building 06-CP-10, the first device assembly building on the Nevada National Security Site (NNSS), and is intended to comply with the 2021 Memorandum of Agreement DE-GM58-21NA25543 Between the U.S. Department of Energy and the Nevada State Historic Preservation Officer Regarding Demolition of Fourteen Buildings and Structures in Area 6 of the Nevada National Security Site, Nye County (hereafter referred to as the MOA). This MOA was executed to resolve adverse effects from the U.S. Department of Energy (DOE) plan to demolish 14 architectural resources at the Control Point and in the vicinity in Area 6 of the NNSS. The management and operations contractor for the NNSS identified these 14 architectural resources as environmental hazards unsafe for human occupation due to deterioration and rodent infestation. Building 06-CP-10 and two small magazine bunkers (06-CP-10A and 06-CP-805) associated with Building 06-CP-10 are scheduled for demolition as part of this undertaking. Building 06-CP-10 was originally recorded in 2003 during a historical evaluation of four buildings in Area 6. In consultation with the Nevada State Historic Preservation Office, the building was determined individually eligible for inclusion in the NRHP under the Secretary of the Interior’s Significance Criterion A because of its association with nuclear testing and under Significance Criterion C as a distinct type of construction associated with the nuclear industry. Building 06-CP-10A, a munitions magazine, and 06- CP-805, a cap-and-fuse bunker, have been recorded as contributing accessory resources to 06-CP-10. Pursuant to Stipulation III.C.3 of the MOA, this report provides a summary of the historic significance of Building 06-CP-10 and a description of its current condition and accessory resources. In addition, an updated Architectural Resource Assessment (ARA) form with new information and photographs is included in the appendix in fulfillment of Stipulation III.C.2.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Final Technical Report

The Department of Energy is interested in technologies that support the sustainable production of fuels, chemicals, and other bioproducts from plant biomass, to offset the nation’s reliance on fossil resources. The plant cell wall of energy crops provides the largest reservoir of raw materials for bioproducts. However, the widespread use of plant cell walls is hampered by their complexity and resistance to breakdown. To improve the productivity and cost-effectiveness of using energy crops to generate bioproducts, the fundamental problem of deconstructing plant cell walls must be addressed. This project developed and evaluated an innovative genetic modification technology to produce strategically designed enzymes that specifically accumulate in the plant cell wall. The resulting enzyme-engineered energy crops are expected to grow normally under natural conditions but break down more quickly and easily under high temperature during the production of biobased products. As such, this plant cell wall targeting enzyme engineering effort will reduce the cost of plant cell wall deconstruction and ultimately improve the economics of bioproducts. The overall objective of this project is to develop and evaluate the in-planta enzyme engineering technology to reduce lignocellulose deconstruction cost. The concept was first validated using tobacco plant, a model plant system that is typically used in lab testing for initial concept validation. Then the enzyme optimization was validated using switchgrass, the energy crop to be used to produce bioproducts. There are three specific objectives in this Phase I project: (1) validate the enzyme optimization concept using tobacco plant, a model plant system. (2) validate the enzyme optimization concept using switchgrass. (3) techno-economic analysis (TEA) for further scale-up application. By the end of this project, in-planta enzyme engineering was validated in both tobacco and switchgrass plants, with improved enzyme activity and saccharification efficiency. The in-planta enzyme engineering in Tabacco didn’t have a significant impact on plant growth and development. Transgenic tobacco plants with in-planta cellulose degrading enzymes showed higher biomass digestibility than wild type. Gene construction and transformation in switchgrass was much longer than expected, which delayed the research progress. Besides, in-planta engineering of lignin degrading enzyme is more challenging than cellulose degrading enzyme, in terms of expression detection. Expression of lignin degrading enzyme and cellulose degrading enzyme improved biomass yield and saccharification efficiency of switchgrass, respectively. It is promising to express both genes in switchgrass for optimized overall performance. According to the results of TEA, switchgrass biomass production cost is mainly attributed to by fertility and harvesting. Biomass production profit can increase up to 10-fold depending on biomass price. The PHA production profit is also sensitive to the biomass price. The proposed technology could potentially reduce the biomass deconstruction cost from 33% to 9% of PHA revenue, making the biomass-based PHA competitive to petroleum-based polymers even in case of relatively high biomass price of biomass. Therefore, cultivation of the genetically engineered self-deconstruction switchgrass for Polyhydroxyalkanoate (PHA) production could benefit switchgrass grower and PHA producer with attractive profits for both sectors. This new enzyme optimization approach will be beneficial for bioindustries that use energy crops as feedstocks. It will improve the economic viability of converting energy crops to renewable products that support a sustainable society and helps address the Nation’s long-term strategic needs for renewable products and reduction of reliance on fossil resources.

42 ENGINEERING↗
DOE OSTI2016

S2M: A Stochastic Simulation Model of Poliovirus Genetic State Transition

Modeling the molecular mechanisms that govern genetic variation can be useful in understanding the dynamics that drive genetic state transition in quasispecies viruses. For example, there is considerable interest in understanding how the relatively benign vaccine strains of poliovirus eventually revert to forms that confer neurovirulence and cause disease (ie, vaccine-derived poliovirus). This report describes a stochastic simulation model, S2M, which can be used to generate hypothetical outcomes based on known mechanisms of genetic diversity. S2M begins with predefined genotypes based on the Sabin-1 and Mahoney wild-type sequences, constructs a set of independent cell-based populations, and performs in-cell replication and cell-to-cell infection cycles while quantifying genetic changes that track the transition from Sabin-1 toward Mahoney. Realism is incorporated into the model by assigning defaults for variables that constrain mechanisms of genetic variability based roughly on metrics reported in the literature, yet these values can be modified at the command line in order to generate hypothetical outcomes driven by these parameters. To demonstrate the utility of S2M, simulations were performed to examine the effects of the rates of replication error and recombination and the presence or absence of defective interfering particles, upon reaching the end states of Mahoney resemblance (semblance of a vaccine-derived state), neurovirulence, genome fitness, and cloud diversity. Simulations provide insight into how modeled biological features may drive hypothetical outcomes, independently or in combination, in ways that are not always intuitively obvious.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1960

VII. Some structual and materials considerations for manned military aircraft

The design of lightweight, efficient structures is one of the fundamental requirements for achievement of high performance in military aircraft. In this paper some of the structural and materials considerations that are important to the strength, weight, and integrity of aircraft structures are reviewed. A comparison of some structural materials is made on the basis of weight-strength and tear resistance. In the area of structural design, the relative weights of several types of construction that are of current interest are reviewed and the influence of different materials and the effects of the related temperatures on structural weight are indicated. Lastly, other factors that are of importance in structural design of future aircraft are discussed. These include strength under nonuniform temperatures, creep, sonic fatigue, and panel flutter.

Structural material↗
NASA NTRS1968

Electronic wave functions for atoms. I.

Atomic wave functions determination by configuration interaction method, constructing Slater type orbitals into orthogonal set of smaller dimensions

Bunge, C. F.↗
NASA NTRS1970

A temperature-controlled fluid flow regulator

Slide-type valve, constructed of materials having different coefficients of thermal expansion, provides variable flow area as the slides move in relation to each other with temperature changes.

Tomlinson, L. E.↗
NASA NTRS1972

Development of chip passivated monolithic complementary MISFET circuits with beam leads

The results are presented of a program to demonstrate the processes for fabricating complementary MISFET beam-leaded circuits, which, potentially, are comparable in quality to available bipolar beam-lead chips that use silicon nitride passivation in conjunction with a platinum-titanium-gold metal system. Materials and techniques, different from the bipolar case, were used in order to be more compatible with the special requirements of fully passivated complementary MISFET devices. Two types of circuits were designed and fabricated, a D-flip-flop and a three-input NOR/NAND gate. Fifty beam-leaded chips of each type were constructed. A quality and reliability assurance program was performed to identify failure mechanisms. Sample tests and inspections (including destructive) were developed to measure the physical characteristics of the circuits.

Ragonese, L. J.↗
NASA NTRS1972

Diffuse X-rays from the galactic disk

An anisotropic feature of the diffuse hard X-ray background that tracks the concentration of interstellar hydrogen in the plane of the galaxy is reported. This feature supports a model of galactic X-ray emission by subrelativistic cosmic rays via a bremsstrahlung process. The measurement was carried out on August 9, 1971, using two multianode multilayer gas proportional counters onboard Aerobee 170 flight 13.08. A schematic diagram of the detectors is shown. This type of construction and the appropriate utilization of the signals from the many anodes result in a low detector background, a perequisite before undertaking a measurement of possible small variations in the brightness of the X-ray sky.

Serlemitsos, P. J.↗
NASA NTRS1971

Boron epoxy reinforced structural sections.

A NASA Research program on the development of lightweight aluminum stiffening sections will be reviewed. The sections under investigation are hollowed extrusions which have been reinforced with boron epoxy by means of a fiber infiltration scheme being developed by Avco. Advantages of this type of construction are cost, environmental stability, manufacturing flexibility, and simplicity in joining. Present studies are focused on developing and verifying structural concepts for stiffener sections for compression panels. Results of analytical studies to size boron reinforcement will be discussed. Compression test results on stiffener sections will be presented and the design of a large compression panel will be reviewed. Results from compression panel efficiency studies indicate that panels with infiltrated stiffeners may be as much as 25% lighter than comparable all aluminum panels.-

Roy, P. A.↗
NASA NTRS1972

Design, analysis, and tests of a structural prototype Viking aeroshell. I - Aeroshell design and analysis. II - Test procedure and test results.

Two near optimum full-scale Viking aeroshell prototypes (140 deg ring-stiffened conical shells), differing only in base ring size, were designed and tested under uniform pressure to buckling failure. Part I describes the computerized design procedure which iterates between a design program based on approximate equations to determine skin and ring gages and ring spacings, and a sophisticated system of shell of revolution programs for more accurate analysis as a basis for redesign. Part II discusses fabrication techniques, test procedures, and test results. Both buckling and prebuckling data are compared with the theoretical predictions of Part I. Appropriate buckling knockdown factors for this type of construction are identified. Measured strains in skin and rings agreed well with theoretical predictions and the buckling pressure was in close agreement with the design ultimate pressure.

Heard, W. L., Jr.↗
NASA NTRS1974

Evaluation of a metal fuselage frame selectively reinforced with filamentary composites for space shuttle application

The development of metal structures reinforced with filamentary composites as a weight saving feature of the space shuttle components is discussed. A frame was selected for study that was representative of the type of construction used in the bulk frames of the orbiter vehicle. Theoretical and experimental investigations were conducted. Component tests were performed to evaluate the critical details used in the designs and to provide credibility to the weight saving results. A model frame was constructed of the reinforced metal material to provide a final evaluation of the construction under realistic load conditions.

Oken, S.↗