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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,117 records · Page 62

Group Additivity Determination for Oxygenates, Oxonium Ions, and Oxygen-Containing Carbenium Ions

Bio-oil produced from biomass fast pyrolysis often requires catalytic upgrading to remove oxygen and acidic species over zeolite catalysts. The elementary reactions in the mechanism for this process involve carbenium and oxonium ions. In order to develop a detailed kinetic model for the catalytic upgrading of biomass, rate constants are required for these elementary reactions. The parameters in the Arrhenius equation can be related to thermodynamic properties through structure-reactivity relationships, such as the Evans-Polanyi relationship. For this relationship, enthalpies of formation of each species are required, which can be reasonably estimated using group additivity. However, the literature previously lacked group additivity values for oxygenates, oxonium ions, and oxygen-containing carbenium ions. In this work, 71 group additivity values for these types of groups were regressed, 65 of which had not been reported previously and six of which were newly estimated based on regression in the context of the 65 new groups. Heats of formation based on atomization enthalpy calculations for a set of reference molecules and isodesmic reactions for a small set of larger species for which experimental data was available were used to demonstrate the accuracy of the Gaussian-4 quantum mechanical method in estimating enthalpies of formation for species involving the moieties of interest. Isodesmic reactions for a total of 195 species were constructed from the reference molecules to calculate enthalpies of formation that were used to regress the group additivity values. The results showed an average deviation of 1.95 kcal/mol between the values calculated from Gaussian-4 and isodesmic reactions versus those calculated from the group additivity values that were newly regressed. Importantly, the new groups enhance the database for group additivity values, especially those involving oxonium ions.

09 BIOMASS FUELS↗

Demonstration of friction stir Welding (FSW) Technology for packaging of used nuclear fuel - 15025

With uncertainty surrounding the disposal of US Used Nuclear Fuel (UNF), the nuclear industry is making an effort to identify an interim storage solution. One of the alternatives is to simply manage UNF on-site until a permanent repository can be established - extended storage. In an effort to provide a technical basis for extended storage, the Department of Energy (DOE) performed a gap analysis identifying several issues that need to be addressed. One of the issues relates to the performance of the UNF dry storage container (DSC). DSC container welds (fabricated using conventional fusion welding processes) are sensitive to Stress Corrosion Cracking (SCC), and their extended-term performance is questionable. Fluor, the Pacific Northwest National Laboratory (PNNL) and the Savannah River National Laboratory (SRNL) believe that Friction Stir Welding (FSW) technology may be able to address the DSC issue. The Fluor team collaborated on a project to demonstrate feasibility of FSW for DSC packaging (closure-welding). This paper reports on a 2-year project in which FSW process conditions were established (for DSC container materials and dimensions) and used in the preparation of mechanical and corrosion specimens for testing and evaluation. In addition to FSW test specimens, fusion welded specimens were prepared and tested in like manner for comparative purposes. The results show excellent mechanical properties (meeting construction code requirements) and significant improvement in corrosion performance - over the fusion welded specimens. It is believed these findings will be of significant value to efforts underway to provide a technical basis for DSC extended storage performance. FSW technology appears to be an acceptable alternative or candidate process, capable of addressing the SCC sensitivity issues associated with fusion-welded DSC fabrication welds. In addition, as an alternative to on-site, extended storage of UNF, the DOE has proposed the development and construction of a Consolidated Interim Storage Facility (CISF). UNF would be accepted from the many, local sites for consolidation at one or more CISFs until a permanent repository could be established. A recent CISF study indicates that UNF currently packaged into DSCs will likely be re-packaged into containers suitable for permanent storage. The study also indicates that re-packaging is best performed under water in a pool. FSW technology has several specific advantages for this application, 1) because it utilizes machine-tool equipment, a welding station can easily perform a cutting operation, and 2) FSW has been successfully demonstrated capable of joining container materials under water. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

SNL/CA Facilities Management Design Standards Manual

At Sandia National Laboratories in California (SNL/CA), the design, construction, operation, and maintenance of facilities is guided by industry standards, a graded approach, and the systematic analysis of life cycle benefits received for costs incurred. The design of the physical plant must ensure that the facilities are "fit for use," and provide conditions that effectively, efficiently, and safely support current and future mission needs. In addition, SNL/CA applies sustainable design principles, using an integrated whole-building design approach, from site planning to facility design, construction, and operation to ensure building resource efficiency and the health and productivity of occupants. The safety and health of the workforce and the public, any possible effects on the environment, and compliance with building codes take precedence over project issues, such as performance, cost, and schedule.

42 ENGINEERING↗

Embedding methods for the steady Euler equations

An approach to the numerical solution of the steady Euler equations is to embed the first-order Euler system in a second-order system and then to recapture the original solution by imposing additional boundary conditions. Initial development of this approach and computational experimentation with it were previously based on heuristic physical reasoning. This has led to the construction of a relaxation procedure for the solution of two-dimensional steady flow problems. The theoretical justification for the embedding approach is addressed. It is proven that, with the appropriate choice of embedding operator and additional boundary conditions, the solution to the embedded system is exactly the one to the original Euler equations. Hence, solving the embedded version of the Euler equations will not produce extraneous solutions.

Chang, S. H.↗

Use of a Scale Model in the Design of Modifications to the NASA Glenn Icing Research Tunnel

Major modifications were made in 1999 to the 6- by 9-Foot (1.8- by 2.7-m) Icing Research tunnel (IRT) at the NASA Glenn Research Center, including replacement of its heat exchanger and associated ducts and turning vanes, and the addition of fan outlet guide vanes (OGV's). A one-tenth scale model of the IRT (designated as the SMIRT) was constructed with and without these modifications and tested to increase confidence in obtaining expected improvements in flow quality around the tunnel loop. The SMIRT is itself an aerodynamic test facility whose flow patterns without modifications have been shown to be accurate, scaled representations of those measured in the IRT prior to the 1999 upgrade program. In addition, tests in the SMIRT equipped with simulated OGV's indicated that these devices in the IRT might reduce flow distortions immediately downstream of the fan by two thirds. Flow quality parameters measured in the SMIRT were projected to the full-size modified IRT, and quantitative estimates of improvements in flow quality were given prior to construction. In this paper, the results of extensive flow quality studies conducted in the SMIRT are documented. Samples of these are then compared with equivalent measurements made in the full-scale IRT, both before and after its configuration was upgraded. Airspeed, turbulence intensity, and flow angularity distributions are presented for cross sections downstream of the drive fan, both upstream and downstream of the replacement flat heat exchanger, in the stilling chamber, in the test section, and in the wakes of the new comer turning vanes with their unique expanding and contracting designs. Lessons learned from these scale-model studies are discussed.

Canacci, Victor A.↗

Tailoring biogenic straw insulation from additive manufacturing

In the pursuit of carbon-storing materials that could help accomplish high levels of building sustainability, wheat straw has emerged as a promising alternative to fossil fuel-based building materials. Straw is 100% biodegradable and abundant agricultural waste used in the construction 400 years ago, and it has been reported to have the lowest embodied carbon when measured against other typical insulating materials. Here, in this study, we report additive manufacturing of carbon-sequestration insulation panel materials by upcycling cellulose fibrils from wheat straw. Cellulose obtained from alkaline and 2,2,6,6-tetramethylpiperidine-1-oxyl radical-mediated oxidation shows thermal conductivity of 0.036 W m -1 K -1 , alongside elastic and flexural modulus of 900 MPa and 502 MPa, respectively. In addition, an in-situ hydrophobic treatment in the cellulose-based insulation panels is achieved with an average water contact angle of 133.7° Furthermore, the extrusion-based additive manufacturing of a 3D-printable ink obtained by mixing the cellulose and silica aerogel precursor is accomplished, with the printed material exhibiting structural integrity, thus showing great potential towards the development of state-of-the-art, sustainable materials for carbon-sequestration building applications.

36 MATERIALS SCIENCE↗

United States County-Level Industrial Energy Use

Estimated industrial manufacturing agriculture construction and mining energy estimated by North American Industrial Classification System NAICS code county and fuel type for 2014. Additional disaggregation by end use e.g. machine drive process heating facility lighting is provided for manufacturing agriculture and mining industries. Estimation approach is described in detail in the data_foundation folder here https//github.com/NREL/Industry-Energy-Tool/.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

New coal char-based bricks: Effects of curing temperature, humidity, pressing pressure, and addition of superplasticizer on the physical, mechanical, and thermal properties

Coal char, as a sustainable and eco-friendly material, holds significant potential for use in new construction materials, specifically, coal char-based bricks. This study employed the pre-pressing method to create char bricks containing high char content of 70%. The impact of various curing temperatures (20, 40, 60 °C), humidity levels (15% and 90%), and pressing pressures (3.5, 7, and 10 MPa) on the density, X-ray diffraction, compressive strength, and thermal conductivity of char-based samples were examined. The addition of superplasticizer and the performance of char bricks were assessed by comparing them to traditional clay bricks and corresponding standards. The study discovers that the temperature of 40 °C enhances the early 7-day strength of char brick samples, while the highest 28-day strength is observed in char bricks at a temperature of 20 °C and humidity of 90%. Compared to conventional clay bricks (with density of 1.9 g/cm3, thermal conductivity of 0.39-0.63 W/mK, compressive strength of 10-20 MPa), the proposed char bricks exhibit lower density (~0.8 g/cm 3 ), lower thermal conductivity (0.26-0.35 W/mK), and good performance in compressive strength (up to 15 MPa). Lastly, coal char-based bricks with high char content demonstrate significant advantages over traditional clay bricks, making them a sustainable and environmentally friendly building material option.

36 MATERIALS SCIENCE↗

The development of an elastic reverse gradient garment to be used as a countermeasure for cardiovascular deconditioning

Using a new Nomex-Lycra elastic fabric and individualized garment engineering techniques, reverse gradient garments (RGG's) were designed, constructed, and tested for effectiveness as a countermeasure against cardiovascular deconditioning. By combining torso-compensated positive pressure breathing with a distally diminishing gradient of counterpressure supplied by the elastic fabric on the limbs, the RGG acts to pool blood in the extremities of recumbent persons much as though they were standing erect in 1 g. It was theorized that through the use of a dynamic pressurization scheme, the RGG would stress the vasculature in a fashion similar to that experienced by the noramlly active man, hence preventing or limiting the development of post-weightlessness orthostatic intolerance and related conditions. Four male, college-age subjects received daily treatments with the RGG during a 15-day bedrest study. Four additional subjects also underwent the bedrest, but received no treatments; they served as controls. The design and construction of the garments are described, and results of the treatment related measurements are given.

Annis, J. F.↗

Holographic entropy relations repackaged

We explore the structure of holographic entropy relations (associated with ‘information quantities’ given by a linear combination of entanglement entropies of spatial sub-partitions of a CFT state with geometric bulk dual). Such entropy relations can be recast in multiple ways, some of which have significant advantages. Motivated by the already-noted simplification of entropy relations when recast in terms of multipartite information, we explore additional simplifications when recast in a new basis, which we dub the K-basis, constructed from perfect tensor structures. For the fundamental information quantities such a recasting is surprisingly compact, in part due to the interesting fact that entropy vectors associated to perfect tensors are in fact extreme rays in the holographic entropy cone (as well as the full quantum entropy cone). More importantly, we prove that all holographic entropy inequalities have positive coefficients when expressed in the K-basis, underlying the key advantage over the entropy basis or the multipartite information basis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

B2 Grain Growth Behavior of a Ti-22Al-25Nb Alloy Fabricated by Hot Pressing Sintering

Grain growth behavior of a powder metallurgy (P/M) Ti-22Al-25Nb alloy was investigated by applying a series of isothermal treatment tests over a wide range of temperatures and holding times. An isothermal treatment scheme was conducted in the B2 phase region (1070-1110 °C) and α{sub 2} + B2 phase region (1010-1050 °C) at holding times of 10, 30 min, 1, 2, and 3 h, respectively. The effects of temperature and holding time on the microstructure evolution and microhardness of the P/M Ti-22Al-25Nb alloy at elevated temperatures were evaluated using optical microscope, scanning electron microscope, x-ray diffraction, and Vickers hardness test techniques. The results revealed that the alloy’s treated microstructure was closely linked to temperature and holding time, respectively. The change law of B2 grain growth with holding time and temperature can be well interpreted by the Beck equation and Hillert equation, respectively. The B2 grain growth exponent n and activation energy Q were acquired based on experimental data in the α{sub 2} + B2 and B2 phase regions. In addition, the grain growth contour map for the P/M Ti-22Al-25Nb alloy was constructed to depict variations in B2 grain size based on holding time and temperature.

36 MATERIALS SCIENCE↗

A novel 3-D pulsating heat pipe module for high heat-flux applications

This study proposed a novel pulsating heat pipes (PHP) for high-flux thermal module. According to the open literature, the maximum value of the heat flux is 23.7 W∙cm –2 handled by PHP, which is far behind industry requirements. Therefore, the present study proposes a novel 3D PHP suitable for high heat-flux applications. The PHP were experimentally tested for different working fluids, including methanol and water. Furthermore, the experiments were performed to analyze the influence of various operating parameters, such as filling ratio (25–60%), heat load (100–800 W), and air flow rate 100–250 cubic feet per minute (CFM). In this work, the results showed that this PHP can sustain a heat flux up to 70 W∙cm –2 with the maximum case temperature under 80 °C, which is approximately three times higher than the available literature. Furthermore, the performance of the PHP module was compared against the commercial module with wicked heat pipe. The PHP exhibited about 7% higher heat dissipation compared to the commercial module. Since the proposed module uses simple copper tubes in its construction over the wicked structure used in commercial module, the novel 3D PHP module provides additional economic and mass production capability.

3D pulsating heat pipe↗

Challenges in the mechanical recycling and upcycling of mixed postconsumer recovered plastics (PCR): A review

The presence of chemically different and compositionally varying plastics in mixed postconsumer recovered plastic (PCR) presents daunting barriers to recycling and upcycling efforts. This review systematically outlines how different processing techniques and characterization methods can be implemented to improve PCR's mechanical recycling and upcycling processes. The review further addresses the recycling challenges in the processing of mixed plastics from PCR and how their mechanical properties can be enhanced by making use of different types of compatibilizers such as copolymers, Janus nanoparticles as well as different approaches such as solid-state pulverization and microfibrillarization. In addition, the state-of-the-art applications of recycled plastics usage in automotive and construction are reviewed.

Compatibilization↗

Novel synthesis of plasmonic Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl nanocomposite with enhanced visible light photocatalytic property

Highlights: • Stable Bi{sub 2}Sn{sub 2}O{sub 7}/Ag/AgCl composite is prepared by an easy-completing method for the first time. • The Bi{sub 2}Sn{sub 2}O{sub 7}/Ag/AgCl composite has remarkably enhanced photocatalytic activity under visible light irradiation. • The enhanced photocatalytic activity is attributed to enhanced visible-light absorption and high separation efficiency of electron-hole pairs. • The possible mechanism of photocatalysis enhancement is investigated and illustrated. - Abstract: We report a novel Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl photocatalysts with excellent visible-light-driven photocatalytic properties. The crystalline Bi{sub 2}Sn{sub 2}O{sub 7} was synthesized by solid-state reaction at 550 °C. Then Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl was prepared using deposition-precipitation technique followed by photo-reduction of partial Ag{sup +} to Ag{sup 0} nanoparticles on surface of AgCl. The photocatalysis were evaluated by degrading organic dyes under controlled conditions. The Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl composite exhibited a much improved photocatalysis, approximately 7 times stronger than that of pure Bi{sub 2}Sn{sub 2}O{sub 7}, primarily due to its enhanced visible-light absorption and high separation efficiency of charge. On the basis of band structure analysis, a possible mechanism of photocatalysis enhancement for Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl is proposed. The strong photocatalytic capability, together with simplicity of fabrication suggests Bi{sub 2}Sn{sub 2}O{sub 7}/Ag-AgCl composite provided in this study may have certain practical applications in water treatments. Additionally, the study implies a novel but simple methodology that may be also applicable in construction of other types of single semiconductor/plasmonic composite photocatalysts.

36 MATERIALS SCIENCE↗

Enhanced Photo-Cross-Linking of Thymines in DNA Holliday Junction-Templated Squaraine Dimers

Programmable self-assembly of dyes using DNA templates to promote exciton delocalization in dye aggregates is gaining considerable interest. New methods to improve the rigidity of the DNA scaffold and thus the stability of the molecular dye aggregates to encourage exciton delocalization are desired. In these dye–DNA constructs, one potential way to increase the stability of the aggregates is to create an additional covalent bond via photo-cross-linking reactions between thymines in the DNA scaffold. Specifically, we report an approach to increase the yield of photo-cross-linking reaction between thymines in the core of a DNA Holliday junction while limiting the damage from UV irradiation to DNA. We investigated the effect of the distance between thymines on the photo-cross-linking reaction yields by using linkers with different lengths to tether the dyes to the DNA templates. By comprehensively evaluating the photo-cross-linking reaction yields of dye–DNA aggregates using linkers with different lengths, we conclude that interstrand thymines tend to photo-cross-link more efficiently with short linkers. A higher cross-linking yield was achieved due to the shorter intermolecular distance between thymines influenced by strong dye–dye interactions. Furthermore, our method establishes the possibility of improving the stability of DNA-scaffolded dye aggregates, thereby expanding their use in exciton-based applications such as light harvesting, nanoscale computing, quantum computing, and optoelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Scalable Semi-Implicit Barotropic Mode Solver for the MPAS-Ocean

A scalable semi-implicit barotropic mode solver for the ocean component of the model for prediction across scales has been implemented as a competitor to an existing explicit-subcycling scheme to allow faster and more stable simulations while not sacrificing accuracy. The semi-implicit solver adopts the pipelined preconditioned bi-conjugate gradient stabilization algorithm as an iterative solver in conjunction with the restricted additive Schwarz preconditioner that accelerates the convergence rate of the iterative solver. The preconditioner is constructed from a linearized barotropic system that also reorders the system for optimal performance, while the semi-implicit solver deals with the fully nonlinear barotropic system that requires reassembly of the coefficient matrix for every time step. Several numerical experiments, from simple one-dimensional tests to three-dimensional real-world tests, demonstrate that the semi-implicit solver has almost the same accuracy and better parallel scalability compared with the existing scheme while allowing faster and more stable simulations. Furthermore, the semi-implicit solver accelerates the barotropic mode up to 2.9 times faster than the existing scheme on 16,320 processors, leading to an overall runtime speedup of 1.9.

97 MATHEMATICS AND COMPUTING↗