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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 73 records · Page 4

Scaling of the detonation product state with reactant kinetic energy

Chemical explosives provide one of the most high-power and energy-dense storage materials available. During detonation, transfer of this energy to adjacent materials is governed by the detonation product equation of state. No accurate methodology exists for prediction of this thermodynamic relationship and equation-of-state data continues to be experimentally characterized for each new formulation or charge density. Here we present a universal detonation product equation of state derived from several newly discovered empirical correlations in prior condensed-phase detonation product measurements. This model depends only on initial charge density and detonation velocity as inputs, dramatically simplifying the calibration process relative to existing models, which require measurement of up to seven formulation-specific parameters. This new result implies the product energy density scales with reactant kinetic energy density, which is the product of the explosive initial density and detonation velocity squared, for all condensed-phase energetic materials and that explosive microstructural or chemical details only influence the product energy density though these two parameters.

25 ENERGY STORAGE↗

R -Nb 2 O 5 has an ‘idealized’ V 2 O 5 structure and Wadsley–Roth-like structural stability during Li-ion battery cycling

The adoption of batteries across diverse applications requires electrode materials with a wider range of performance metrics, such as cost, safety, and material availability. Along the path to discovering new commercially viable materials, a fundamental understanding of chemical and atomic structure features that provide structural stability and effective ion transport is essential. In support of new understanding, we report the cycling behavior of metastable R-Nb 2 O 5 . R-Nb 2 O 5 adopts an ‘idealized’ V 2 O 5 structure, in which [NbO 6 ] octahedra alternate in edge- and corner-sharing resulting in ReO 3 -like slabs, whereas Wadsley–Roth materials have ReO 3 -like blocks, linked through edge-sharing octahedra at intersecting crystallographic shear planes. We find that this slab structure is stable during cycling, with minor atomic structure changes and cycling curves that are symmetric on discharge and charge, resembling the behavior of Wadsley–Roth materials more than other related materials, such as ReO 3 , V 2 O 5 , or Nb 3 O 7 F. Based on our findings, R-Nb 2 O 5 can serve as a ‘structural bridge’ between Wadsley–Roth block structures and V 2 O 5 , through which we can relate inter- and intra-polyhedral structures to cycling behavior and structural stability during cycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Critical Ablative TPS Capabilities Sustainment - An Approach to Playing the Long Game

Historically, we have been pound foolish and penny wise for decades, and it is time to reverse this. We present an approach that will maintain critical NASA ablative TPS capabilities through small, sustained, smart and targeted investment. NASA’s ablative TPS history is one of developing new capabilities and letting them atrophy. When needed, there are two options: (1) revive the capability at considerable cost impact or (2) develop an alternate capability with considerable schedule impact. Either of these options have had considerable mission impact. The third alternate is to maintain proven capabilities in a cost effective manner to allow the science community to propose missions with confidence. NASA and DoD have had a working group to periodically assess and make recommendations on at-risk items. This working group typically focuses on raw materials availability. While we agree that at-risk raw materials are an important and necessary part of the overall capability, focus solely on them is not sufficient. Instead, we advocate for a broader focus on the critical “technology capability” that includes not only raw material but also industrial manufacturing and processing capabilities and in-house expertise in design, testing and flight hardware certification. In this proposed presentation, we will highlight a case study related to PICA capability. We will present the rationale for sustaining PICA and HEEET as two minimum essential ablative TPS capabilities for future NASA missions. We will present an approach for how small investment could lead to maintaining mission critical capabilities over a longer period. While HEEET and PICA are NASA unique, the raw material and some of the vendor capabilities involved also support DoD TPS. Hence a partnership between NASA and DoD is recommended for broader benefit.

Ethiraj Venkatapathy↗

An Approach to Critical Ablative TPS Capabilities Sustainment for Future NASA Missions

We plan to present an approach for NASA to maintain critical ablative TPS capabilities through small, sus-tained, smart and targeted investment. Historically, we have been pound foolish and penny wise for decades and paid very little attention to sustainability of abla-tive TPS and as a result, spent couple of decades in learning what we lost and inventing newer technology solutions. NASA’s ablative TPS history has been one of in-vesting in new and unique capabilities in anticipation of needs, and once flight proven, letting the capability atrophy due to lack of subsequent near-term mission needs [1]. When the need arises, NASA has resorted to two options: (1) revive the capability at considerable cost impact, or (2) develop an alternate capability with considerable schedule impact. Both these options have had considerable mission impact. The third alternate is to maintain proven capabilities in a cost effective manner. A risk informed decision process in terms of maintaining ablative TPS capabilities is feasible with planning and sustained support. Assured TPS availa-bility will allow the science community to propose competed missions with confidence and at a lower risk for selection. We submitted a white paper to the cur-rent Decadal Survey [2] on the need for and im-portance of sustainability. Since then, we have been formulating an executable cost effective strategy. The intent of this presentation is to outline the develop-ments since the submission of the white paper. NASA and DoD have had a working group related to critical technologies to periodically assess and make recommendations on at-risk items from a national need perspective. This inter-agency working group typically focuses on raw materials availability. While we agree that at-risk raw materials are important, fo-cus solely on them is not sufficient. Instead, we advo-cate for a broader focus that includes not only raw material but also industrial manufacturing and processing, and NASA expertise in design, testing and flight hardware certification. In this proposed presentation, we will give a brief overview of NASA’s ablative TPS history along with recent examples of atrophy to highlight case studies related to the PICA and Carbon-Phenolic TPS. We will present the rationale for sustaining PICA, HEEET and 3MDCP for future NASA missions. We will present an approach for how targeted small investments could lead to maintaining mission critical capabilities over long periods.

E Venkatapathy↗

Lead-free solders: issues of toxicity, availability and impacts of extraction

This project set out to evaluate the critical issues of toxicity and public health effects, material availability, and the environmental impacts of raw material extraction and metal finishing, with the goal of using environmental impact as a factor in selecting feasible lead-free alloys.

toxicity lead-free solder packaging↗

A Single Small-Scale Plutonium Redox Reaction System Yields Three Crystallographically-Characterizable Organoplutonium Complexes

Here, an approach to obtaining substantial amounts of data from a hazardous starting material that can only be obtained and handled in small quantities is demonstrated by the investigation of a single small-scale reaction of cyclooctatetraene, C 8 H 8 , with a solution obtained from the reduction of Cp' 3 Pu (Cp' = C 5 H 4 SiMe 3 ) with potassium graphite. This one reaction coupled with oxidation of a product has provided single-crystal X-ray structural data on three organoplutonium compounds as well as information on redox chemistry thereby demonstrating an efficient route to new reactivity and structural information on this highly radioactive element. The crystal structures were obtained from the reduction of C 8 H 8 by a putative Pu(II) complex, (Cp' 3 Pu II ) 1– , generated in situ, to form the Pu(III) cyclooctatetraenide complex, [K(crypt)][(C 8 H 8 ) 2 Pu III ], 1-Pu , and the tetra(cyclopentadienyl) Pu(III) complex, [K(crypt)][Cp' 4 Pu III ], 2-Pu . Oxidation of the sample of 1-Pu with Ag(I) afforded a third organoplutonium complex that has been structurally characterized for the first time, (C 8 H 8 ) 2 Pu IV , 3-Pu . Complexes 1-Pu and 3-Pu contain Pu sandwiched between parallel (C 8 H 8 ) 2– rings. The (Cp' 4 Pu III ) – anion in 2-Pu features three η 5 -Cp' rings and one η 1 -Cp' ring, which is a rare example of a formal Pu–C η 1 -bond. In addition, this study addresses the challenge of small-scale synthesis imparted by radiological and material availability of transuranium isotopes, in particular that of pure metal samples. A route to an anhydrous Pu(III) starting material from the more readily available Pu IV O 2 was developed to facilitate reproducible syntheses and allow complete spectroscopic analysis of 1-Pu and 2-Pu . Pu IV O 2 was converted to Pu III Br 3 (DME) 2 (DME = CH 3 OCH 2 CH 2 OCH 3 ) and subsequently Pu III Br 3 (THF) x , which was used to independently synthesize 1-Pu , 2-Pu , and 3-Pu .

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Advances in actinide thin films: synthesis, properties, and future directions

Actinide-based compounds exhibit unique physics due to the presence of 5f electrons, and serve in many cases as important technological materials. Targeted thin film synthesis of actinide materials has been successful in generating high-purity specimens in which to study individual physical phenomena. These films have enabled the study of the unique electron configuration, strong mass renormalization, and nuclear decay in actinide metals and compounds. The growth of these films, as well as their thermophysical, magnetic, and topological properties, have been studied in a range of chemistries, albeit far fewer than most classes of thin film systems. This relative scarcity is the result of limited source material availability and safety constraints associated with the handling of radioactive materials. Here, we review recent work on the synthesis and characterization of actinide-based thin films in detail, describing both synthesis methods and modeling techniques for these materials. Further, we review reports on pyrometallurgical, solution-based, and vapor deposition methods. We highlight the current state-of-the-art in order to construct a path forward to higher quality actinide thin films and heterostructure devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nozzle designs with pitch precursor ablatives

Recent developments in carbon phenolic ablatives for solid rocket motor nozzles have yielded a pitch precursor carbon fiber offering significant raw material availability and cost saving advantages as compared to conventional rayon precursor material. This paper discusses the results of an experimental program conducted to assess the thermal performance and characterize the thermal properties of pitch precursor carbon phenolic ablatives. The end result of this program is the complete thermal characterization of pitch fabric, pitch mat, hybrid pitch/rayon fabric and pitch mat molding compound. With these properties determined an analytic capability now exists for predicting the thermal performance of these materials in rocket nozzle liner applications. Further planned efforts to verify material performance and analytical prediction procedures through actual rocket motor firings are also discussed.

Blevins, H. R.↗

Melt Growth of a Nonlinear Optical Crystal Triethylphosphine Sulfide using Modified Bridgman-Stockbarger Technique

Bulk single crystals of triethylphosphine sulfide (C2H5)3P(S), a potential nonlinear optical organic material has been grown from melt using Bridgman- Stockbarger method. Commercially available material triethylphosphine sulfide procured from Johnson Matthey was purified by physical vapor transport using low pressure sublimaton (about 30 mTorr). Modified Bridgman-Stockbarger technique is characterized by the smallest possible quantity of product in the melt for a short period of time. The temperature gradient was chosen to be about 10 C/cm and the ampoule was lowering rate was chosen to be 0.2-0.3 mm/h. For various growth conditions, several single crystal of triethylphosphine sulfide have been grown with sizes 10X10X15mm(exp 3). The second harmonic generation (SHG) efficiency was measured and has been found to be comparable to phase matched potassium dihydrogen phosphate crystals. Further characterization of the grown single crystals is in progress and the results will be presented at the symposium.

Curry, K.↗

Seismic Velocities of the Tagish Lake Meteorite: Exploring Sample Size Limits for Elastic Property Determination

Understanding the mechanical and elastic properties of rocks comprising asteroids is be-coming of greater practical importance as more spacecraft interact with them (e.g. OSIRIS-REx, Hayabusa2, DART). However, knowledge of asteroid lithologies’ physical properties is limited due to sample paucity and the resulting challenges that come with working with small samples. Measuring seismic velocities is one way to directly and indirectly (through relation-ships established with analog materials) explore elastic and strength properties, respectively, while minimizing use of available material. While sample preparation requires cutting, the seismic measurements are non-destructive.

physical properties↗

Evaluation of Hydrogen Generation in High Burnup Demonstration Dry Storage Cask

This report provides a best-estimate evaluation of residual water content (post-dry out) in the High Burnup (HBU) LWR Spent Fuel Demonstration project TN-32 cask, and evaluates the radiolysis of the residual free water, and the physisorbed and chemisorbed waters on the surfaces of the fuel and cask internal contents. The evaluation of radiolytic breakdown of those waters with gamma radiation causing the generation of hydrogen gas (H 2 ) is made using available literature data and models. This evaluation is part of the overall materials performance evaluation of the SNF-in-canister system, and is part of the technical bases for their continued safe dry storage. The TN-32 cask contents included 32 HBU LWR spent fuel assemblies each with 264 fuel rods clad in zirconium alloys, aluminum neutron absorber components, and aluminum and stainless steel structural components. The residual free and surface (physisorbed/chemisorbed) waters are ascribed to water vapor in the free volume and to components’ surfaces, respectively. The total potential radiolytic hydrogen inventory from the water vapor and from waters ascribed to surfaces has been calculated assuming all the water produced molecular H 2 . The residual water that is chemically incorporated into the bulk of a hydrated oxide, i.e., chemisorbed water, and its total potential hydrogen inventory has been calculated. These calculations are at the physical limit of material available and are used for a bounding assessment purpose only.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nuclear fuels for transient test reactors

Transient test reactors with the ability to test fissile specimens under extreme conditions have been crucial tools in the development of nuclear technologies. Less than 10 unique facility designs have ever been constructed, most of which remain operational today and still use the original nuclear fuel constructed for them more than 40 years ago. Historic fuel systems for transient test reactors vary in significant ways which have marked influences on reactor capabilities. Eventually, new fuel will be needed to support the longevity of transient test reactor missions. This paper reviews precedent transient reactor fuel systems in the context of their unique requirements. A few key conclusions are illustrated by comparing and contrasting these transient test reactors. Fuel composites which are mostly graphite can enable transient reactors with very high neutron fluence capability (>2E16 n/cm 2 ) and are amenable to longer “shaped” transients but cannot achieve pulses <10 ms in duration. Reducing the graphite-to-uranium ratio can yield a very narrow pulse capability but delivers less fluence and requires cores with considerably more fissile material. Designs based on uranium dioxide (UO 2 ) make use of readily available materials to create compact cores with narrow pulse width capabilities but with moderate neutron fluence capabilities (~2E15 n/cm 2 ). Uranium zirconium hydride (U-ZrHx) is a well-established fuel system for pulsing reactors which has been intermittently manufactured throughout the decades. U-ZrHx offers similar capabilities to UO 2 designs in terms of nuclear kinetics, but with about half the fluence capability (~1E15 n/cm 2 ). An evolution of the UO 2 system, termed “ternary ceramic” fuel, shows that dispersing UO 2 in zirconium oxide and calcium oxide can increase fluence capability greatly (~7E15 n/cm 2 ), but is not presently a commonly available fuel form. A unique composite of UO 2 and beryllium oxide (UO 2 -BeO) can be used to create a core with similar kinetics and compact core geometry as U-ZrHx designs, but with significantly higher fluence capability (~6E15 n/cm 2 ). Like ternary ceramic fuel, newly fabricated UO 2 -BeO would require reestablishing its historic manufacturing process which would be further complicated by the health hazards associated with beryllium. In conclusion, like most engineering problems, there is no perfect solution, but this paper outlines the advantages and disadvantages of candidate fuel options to help guide detailed evaluations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nonterrestrial material processing and manufacturing of large space systems

Nonterrestrial processing of materials and manufacturing of large space system components from preprocessed lunar materials at a manufacturing site in space is described. Lunar materials mined and preprocessed at the lunar resource complex will be flown to the space manufacturing facility (SMF), where together with supplementary terrestrial materials, they will be final processed and fabricated into space communication systems, solar cell blankets, radio frequency generators, and electrical equipment. Satellite Power System (SPS) material requirements and lunar material availability and utilization are detailed, and the SMF processing, refining, fabricating facilities, material flow and manpower requirements are described.

Von Tiesenhausen, G.↗

Thermal Load Considerations for Detonative Combustion-Based Gas Turbine Engines

An analysis was conducted to assess methods for, and performance implications of, cooling the passages (tubes) of a pulse detonation-based combustor conceptually installed in the core of a gas turbine engine typical of regional aircraft. Temperature-limited material stress criteria were developed from common-sense engineering practice, and available material properties. Validated, one-dimensional, numerical simulations were then used to explore a variety of cooling methods and establish whether or not they met the established criteria. Simulation output data from successful schemes were averaged and used in a cycle-deck engine simulation in order to assess the impact of the cooling method on overall performance. Results were compared to both a baseline engine equipped with a constant-pressure combustor and to one equipped with an idealized detonative combustor. Major findings indicate that thermal loads in these devices are large, but potentially manageable. However, the impact on performance can be substantial. Nearly one half of the ideally possible specific fuel consumption (SFC) reduction is lost due to cooling of the tubes. Details of the analysis are described, limitations are presented, and implications are discussed.

Paxson, Daniel E.↗

The Thermal Hogan - A Means of Surviving the Lunar Night

document describes the Thermal Hogan, a new shelter concept that would be used on the Moon to moderate the extreme nighttime temperatures, allowing survival of equipment with minimal heater power. It is lightweight, has few mechanical parts, and would be relatively easy to deploy on the Moon. The Lunar Hogan has two parts: an insulated shelter and a thermal mass. The shelter is constructed of multilayer insulation (MLI) draped over a structural framework. Entry and egress are accomplished either by raising the structure or via a door constructed of the same MLI material as the shelter. The thermal mass can be manufactured from locally available materials, either by piling substantially sized rocks to a depth of 0.25 meter, or by filling a 0.25-meter-deep conductive honeycomb-like structure with lunar dust. For ease of transport, the structural framework and honeycomb can be collapsible. The door can be opened by pushing on it in either direction. Gravity would cause it to close and it could be sealed via magnetic strips on the doorframe.

Fruitwala, Neelay↗

The Material With a Need for Speed

PETI-5 is the commonly used term for phenylethynyl terminated imide oligomers, and the 5 refers to the fifth formulation out of 200 compositions. It is a chemical material that can be used as both a resin and an adhesive. Prepared from commercially available materials, PETI-5 combines superb mechanical properties and extreme durability with easy processing and environmental stability. For example, the material has temperature capabilities of 350 ?F for a lifetime of around 60,000 hours. Curing is done with the application of heat and mild pressure, which results in the formation of a strong, resistant polymer. Due to its unique combination of benefits, PETI-5 will be used in the development of the high speed civil transport (HSCT), a concept 300- passenger commercial plane that will travel at a speed of Mach 2.4. Because currently available metals are too heavy and cannot withstand the extreme high temperatures resulting from flying at such high speeds, composite materials made from graphite fibers and PETI-5 are necessary. These

Source record↗

Five experiments in materials science for less than $10.00

Diffusion, twinning, fatigue, acoustic emission, and aging can be studied using readily available materials and the household oven. Each experiment can be expanded to a more extensive investigation of the properties of the material investigated, as well as other materials, and offers an opportunity for the student to learn about the relationship between engineering, science, society, and politics.

Spiegel, F. Xavier↗

High-throughput calculations of charged point defect properties with semi-local density functional theory—performance benchmarks for materials screening applications

Abstract Calculations of point defect energetics with Density Functional Theory (DFT) can provide valuable insight into several optoelectronic, thermodynamic, and kinetic properties. These calculations commonly use methods ranging from semi-local functionals with a-posteriori corrections to more computationally intensive hybrid functional approaches. For applications of DFT-based high-throughput computation for data-driven materials discovery, point defect properties are of interest, yet are currently excluded from available materials databases. This work presents a benchmark analysis of automated, semi-local point defect calculations with a-posteriori corrections, compared to 245 “gold standard” hybrid calculations previously published. We consider three different a-posteriori correction sets implemented in an automated workflow, and evaluate the qualitative and quantitative differences among four different categories of defect information: thermodynamic transition levels, formation energies, Fermi levels, and dopability limits. We highlight qualitative information that can be extracted from high-throughput calculations based on semi-local DFT methods, while also demonstrating the limits of quantitative accuracy.

36 MATERIALS SCIENCE↗