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NASA NTRS1989

Conceptual design study of a 5 kilowatt solar dynamic Brayton power system using a dome Fresnel lens solar concentrator

The primary project objective was to generate a conceptual design for a nominal 5 kW solar dynamic space power system, which uses a unique, patented, transmittance-optimized, dome-shaped, point-focus Fresnel lens as the optical concentrator. Compared to reflective concentrators, the dome lens allows 200 times larger slope errors for the same image displacement. Additionally, the dome lens allows the energy receiver, the power conversion unit (PCU), and the heat rejection radiator to be independently optimized in configuration and orientation, since none of these elements causes any aperture blockage. Based on optical and thermal trade studies, a 6.6 m diameter lens with a focal length of 7.2 m was selected. This lens should provide 87 percent net optical efficienty at 800X geometric concentration ratio. The large lens is comprised of 24 gores, which compactly stow together during launch, and automatically deploy on orbit. The total mass of the microglass lens panels, the graphite/epoxy support structure, and miscellaneous hardware is about 1.2 kg per square meter of aperture. The key problem for the dome lens approach relates to the selection of a space-durable lens material. For the first time, all-glass Fresnel lens samples were successfully made by a sol-gel casting process.

Oneill, Mark J.↗

DOE OSTI2017

Melt-Pool Temperature and Size Measurement During Direct Laser Sintering

Additive manufacturing has demonstrated the ability to fabricate complex geometries and components not possible with conventional casting and machining. In many cases, industry has demonstrated the ability to fabricate complex geometries with improved efficiency and performance. However, qualification and certification of processes is challenging, leaving companies to focus on certification of material though design allowable based approaches. This significantly reduces the business case for additive manufacturing. Therefore, real time monitoring of the melt pool can be used to detect the development of flaws, such as porosity or un-sintered powder and aid in the certification process. Characteristics of the melt pool in the Direct Laser Sintering (DLS) process is also of great interest to modelers who are developing simulation models needed to improve and perfect the DLS process. Such models could provide a means to rapidly develop the optimum processing parameters for new alloy powders and optimize processing parameters for specific part geometries. Stratonics’ ThermaViz system will be integrated with the Renishaw DLS system in order to demonstrate its ability to measure melt pool size, shape and temperature. These results will be compared with data from an existing IR camera to determine the best approach for the determination of these critical parameters.

42 ENGINEERING↗

NASA NTRS1989

Investigations into a new algorithm for calculating H infinity optimal controllers

A new algorithm for calculating H (sup infinity) optimal controllers is investigated. The algorithm is significantly simpler than existing approaches and yields much simpler controllers. The design equations are first presented. Special system transformations required to apply the algorithm are then presented. The use of the algorithm with sampled-data systems is outlined in detail. Several constraints on the characteristics of the problem formulation are required for the application of the design equations. The consequences of these constraints are investigated by applying the algorithm to a simplified design for a subsystem of a large space structure ground test facility. The investigation of these constraints is continued by application of the design equations and constraints to an extremely simple tracking problem. The result of these investigations is the development of a frequency dependent weighting strategy that allows realistic control problems to be cast in a form compatible with the new algorithm. Further work is indicated in the area of developing strategies for choosing frequency-dependent weights to achieve specific design goals. The use of the freedom in problem formulation to achieve robustness/performance tradeoffs should also be investigated. It is not clear that the algorithm always leads to simpler controllers. The more restrictive formulation may dictate that frequency-dependent weighting adds to the controller order disproportionately. This effect must also be investigated.

Irwin, R. Dennis↗

NASA NTRS2008

Special Polymer/Carbon Composite Films for Detecting SO2

A family of polymer/carbon films has been developed for use as sensory films in electronic noses for detecting SO2 gas at concentrations as low as 1 part per million (ppm). Most previously reported SO2 sensors cannot detect SO2 at concentrations below tens of ppm; only a few can detect SO2 at 1 ppm. Most of the sensory materials used in those sensors (especially inorganic ones that include solid oxide electrolytes, metal oxides, and cadmium sulfide) must be used under relatively harsh conditions that include operation and regeneration at temperatures greater than 100 C. In contrast, the present films can be used to detect 1 ppm of SO2 at typical opening temperatures between 28 and 32 C and can be regenerated at temperatures between 36 and 40 C. The basic concept of making sensing films from polymer/carbon composites is not new. The novelty of the present family of polymer/carbon composites lies in formulating the polymer components of these composites specifically to optimize their properties for detecting SO2. First-principles quantum-mechanical calculations of the energies of binding of SO2 molecules to various polymer functionalities are used as a guide for selecting polymers and understanding the role of polymer functionalities in sensing. The polymer used in the polymer-carbon composite is a copolymer of styrene derivative units with vinyl pyridine or substituted vinyl pyridine derivative units. To make a substituted vinyl pyridine for use in synthesizing such a polymer, poly(2-vinyl pyridine) that has been dissolved in methanol is reacted with 3-chloropropylamine that has been dissolved in a solution of methanol. The methanol is then removed to obtain the copolymer. Later, the copolymer can be dissolved in an appropriate solvent with a suspension of carbon black to obtain a mixture that can be cast and then dried to obtain a sensory film.

Homer, Margie↗

NASA NTRS2003

Pneumatically Actuated Miniature Peristaltic Vacuum Pumps

Pneumatically actuated miniature peristaltic vacuum pumps have been proposed for incorporation into advanced miniature versions of scientific instruments that depend on vacuum for proper operation. These pumps are expected to be capable of reaching vacuum-side pressures in the torr to millitorr range (from .133 down to .0.13 Pa). Vacuum pumps that operate in this range are often denoted roughing pumps. In comparison with previously available roughing pumps, these pumps are expected to be an order of magnitude less massive and less power-hungry. In addition, they would be extremely robust, and would operate with little or no maintenance and without need for oil or other lubricants. Portable mass spectrometers are typical examples of instruments that could incorporate the proposed pumps. In addition, the proposed pumps could be used as roughing pumps in general laboratory applications in which low pumping rates could be tolerated. The proposed pumps could be designed and fabricated in conventionally machined and micromachined versions. A typical micromachined version (see figure) would include a rigid glass, metal, or plastic substrate and two layers of silicone rubber. The bottom silicone layer would contain shallow pump channels covered by silicone arches that could be pushed down pneumatically to block the channels. The bottom silicone layer would be covered with a thin layer of material with very low gas permeability, and would be bonded to the substrate everywhere except in the channel areas. The top silicone layer would be attached to the bottom silicone layer and would contain pneumatic- actuation channels that would lie crosswise to the pump channels. This version is said to be micromachined because the two silicone layers containing the channels would be fabricated by casting silicone rubber on micromachined silicon molds. The pneumatic-actuation channels would be alternately connected to a compressed gas and (depending on pump design) either to atmospheric pressure or to a partial vacuum source. The design would be such that the higher pneumatic pressure would be sufficient to push the silicone arches down onto the substrates, blocking the channels. Thus, by connecting pneumatic- actuation channels to the two pneumatic sources in spatial and temporal alternation, waves of opening and closing, equivalent to peristalsis, could be made to move along the pump channels. A pump according to this concept could be manufactured inexpensively. Pneumatic sources (compressors and partial vacuum sources) similar those needed for actuation are commercially available; they typically have masses of .100 g and power demands of the order of several W. In a design-optimization effort, it should be possible to reduce masses and power demands below even these low levels and to integrate pneumatic sources along with the proposed pumps into miniature units with overall dimensions of no more than a few centimeters per side.

Feldman, Sabrina↗

DOE OSTI2018

Lattice distortion in a strong and ductile refractory high-entropy alloy

Here, the maximization of the mixing entropy with the optimal range of enthalpy in high-entropy alloys (HEAs) can promote the formation of a stable single solid-solution phase with the absence of competing intermetallic compounds. The resultant effects, such as lattice distortion, can contribute to excellent mechanical properties, which has motivated numerous efforts to develop and design single-phase HEAs. However, challenges still remain, particularly on quantifying the lattice distortion and relating it to materials properties. In this study, we have developed a NbTaTiV refractory HEA with a single body-centered-cubic (BCC) structure using an integrated experimental and theoretical approach. The theoretical efforts include thermodynamic modeling, i.e., CALculation of PHAse Diagram (CALPHAD). The microstructural evolutions have been investigated by systematic heat-treatment processes. The typical dendrite microstructure was observed, which is caused by the elemental segregation during the solidification in the as-cast condition. The structural inhomogeneity and chemical segregation were completely eliminated by the proper homogenization treatment at 1200 °C for 3 days. The homogeneous elemental distribution was quantitatively verified by the Atom Probe Tomography (APT) technique. Importantly, results indicate that this HEA exhibits the high yield strength and ductility at both room and high temperatures (up to 900 °C). Furthermore, the effects of the high mixing entropy on the mechanical properties are discussed and quantified in terms of lattice distortions and interatomic interactions of the NbTaTiV HEA via first-principles calculations. It is found that the local severe lattice distortions are induced, due to the atomic interactions and atomic-size mismatch in the homogenization-treated NbTaTiV refractory HEA.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Enabling fast charging of lithium-ion batteries through secondary- /dual- pore network: Part I - Analytical diffusion model

Battery performance is strongly correlated with electrode microstructural properties. Enabling fast charging of lithium-ion batteries requires improved through-plane ionic diffusion that can be achieved through, among other strategies, structured electrodes with a secondary- or dual-pore network (SPN). In this work, an analytical model investigates the impact of such an SPN on ionic diffusion with a composite electrode, considering various pore-channel geometries and comparing to standard electrodes with identical gravimetric- and volumetric-specific theoretical capacities. Relevant SPN design parameters and tortuosity coefficients are identified according to three optimization objectives that aim to balance the improved overall through-plane diffusion, thanks to the coarse aligned channels, and degraded in-plane diffusion because of the porous matrix densification required to maintain gravimetric- and volumetric-specific theoretical capacities. The model indicates that a relatively low amount of SPN is required and that electrodes with high through-plane tortuosity and low in-plane tortuosity benefit most from such architecture.

25 ENERGY STORAGE↗

NASA NTRS1987

Oxide-dispersion-strengthened turbine blades. Volume 2

The overall objective of Project 4 was to develop and test a high-temperature, uncooled gas turbine blade using MA6000 alloy. Production scale up of the MA6000 alloy was achieved with a fair degree of tolerance to non-optimum processing. The blade manufacturing process was also optimized. The mechanical, environmental, and physical property evaluations of MA6000 were conducted. The ultimate tensile strength, to about 704 C (1300 F), is higher than DS MAR-M 247 but with a corresponding lower tensile elongation. Also, above 982 C (1800 F) MA6000 tensile strength does not decrease as rapidly as MAR-M 247 because the ODS mechanism still remains active. Based on oxidation resistance and diffusional stability considerations, NiCrAlY coatings are recommended. CoCrAlY coating should be applied on top of a thin NiCrAlY coating if hot corrosion is expected. Vibration, whirlpit, and high-rotor-rig tests were conducted to ensure successful completion of the engine test of the MA6000 TFE731 high pressure turbine blades. Test results were acceptable. In production quantities, the cost of the Project 4 MA6000 blade is estimated to be twice that of a cast DS MAR-M 247 blade.

Millan, P. P., Jr.↗

NASA NTRS1986

Oxide-dispersion-strengthened turbine blades, volume 1

The objective of Project 4 was to develop a high-temperature, uncooled gas turbine blade using MA6000 alloy. The program objectives were achieved. Production scale up of the MA6000 alloy was achieved with a fair degree of tolerance to nonoptimum processing. The blade manufacturing process was also optimized. The mechanical, environmental, and physical property evaluations of MA6000 were conducted. The ultimate tensile strength, to about 704 C (130 F), is higher than DS MAR-M 247 but with a corresponding lower tensile elongation. Also, above 982 C (180 F) MA6000 tensile strength does not decrease as rapidly as MAR-M 247 because the ODS mechanism still remains active. Based on oxidation resistance and diffusional stability considerations, NiCrAlY coatings are recommended. CoCrAly coating should be applied on top of a thin NiCrAlY coating. Vibration tests, whirlpit tests, and a high-rotor-rig test were conducted to ensure successful completion of the engine test of the MA6000 TFE731 high pressure turbine blades. The results of these tests were acceptable. In production quantities, the cost of the Project 4 MA6000 blade is estimated to be about twice that of a cast DS MAR-M 247 blade.

Millan, P. P., Jr.↗

DOE OSTI2022

ELASTOMERIC MICROVASCULAR SELF-HEALING MATERIALS

Damaged elastomeric diaphragms within pneumatic controllers used in the oil and gas industry lead to an unintended release of methane. Self-healing microvascular materials capable of healing various types of damage have been fabricated. These microvascular materials are designed to replace currently available commercial diaphragms found in pneumatic controllers and provide a solution to reduce unintended methane leaks. Poly(dimethylsiloxane) (PDMS) was used as the main matrix material, with additional testing conducted on polyurethane and flexibilised epoxy materials. Microvascular networks were implemented into the elastomeric membranes to act as ves- sels to deliver healing agents to the damaged areas. The complex, interdigitated channel networks were created using a 3D printed custom compounded filament composed of polylactic acid (PLA) and tin(II) oxalate. Two-part liquid casting polymers were poured around the channels into a mould to create samples with the scaffolding of the microvascular channels intact. Hollow microvascular networks were created by placing the samples within a vacuum oven at 250◦C which causes the thermal depolymerisation of PLA into its gaseous monomers. The manufactured materials were placed in test stands and pressurized using nitrogen gas to determine their healing and mechanical behaviour. Self-healing behaviour was demonstrated using PDMS matrix materials and healing chemistries within a pressure test cell. This test cell was designed to detect any damage to a sample by record- ing an outlet pressure. Damages including puncture holes, diagonal cuts and star-shaped central iv cuts were applied to the samples and a reduction in the outlet pressure was recorded for all sam- ples. A variation in channel spacing and diameter was studied to determine the optimal design of the microvascular network for self-healing performance. The mechanical performance of elastomeric membrane materials within a diaphragmatic pressurised stand was observed. Deformations and strains around the channels and channel inter- sections at the midplane of the materials were recorded using digital image correlation. Normal stresses were calculated using Hooke’s law and the material properties of the PDMS matrix. A reduction in leak rate, implying the success of self-healing, was recorded within manu- factured diaphragm samples tested within a commercial valve. PDMS is the favourable material when compared to polyurethane and flexibilised epoxy for creating

03 NATURAL GAS↗

DOE OSTI2019

The Importance of Water Transport in High Conductivity and High-Power Alkaline Fuel Cells

High ionic conductivity membranes can be used to minimize ohmic losses in electrochemical devices such as fuel cells, flow batteries, and electrolyzers. Very high hydroxide conductivity was achieved through the synthesis of a norbornene-based tetrablock copolymer with an ion-exchange capacity of 3.88 meq/g. The membranes were cast with a thin polymer reinforcement layer and lightly cross-linked with N,N,N',N'-tetramethyl-1,6-hexanediamine. The norbornene polymer had a hydroxide conductivity of 212 mS/cm at 80°C. Light cross-linking helped to control the water uptake and provide mechanical stability while balancing the bound (i.e. waters of hydration) vs. free water in the films. The films showed excellent chemical stability with <1.5% conductivity loss after soaking in 1 M NaOH for 1000 h at 80°C. The aged films were analyzed by FT-IR before and after aging to confirm their chemical stability. A H 2 /O 2 alkaline polymer electrolyte fuel cell was fabricated and was able to achieve a peak power density of 3.5 W/cm 2 with a maximum current density of 9.7 A/cm 2 at 0.15 V at 80°C. The exceptionally high current and power densities were achieved by balancing and optimizing water removal and transport from the hydrogen negative electrode to the oxygen positive electrode. High water transport and thinness are critical aspects of the membrane in extending the power and current density of the cells to new record values.

08 HYDROGEN↗

DOE OSTI2015

SU-E-I-02: Characterizing Low-Contrast Resolution for Non-Circular CBCT Trajectories

Purpose: The use of non-circular scanning trajectories with optimization-basedreconstruction algorithms can be used in conjunction with non-planaracquisition geometries for axial field-of-view (FOV) extension incone-beam CT (CBCT). To evaluate the utility of these trajectories,quantitative image quality metrics should be evaluated. Low-contrastresolution (LCR) and CT number accuracy are significant challenges forCBCT. With unprecedented axial coverage provided by thesetrajectories, measuring such metrics throughout the axial range iscritical. There are currently no phantoms designed to measurelow-contrast resolution over such an extended volume. Methods: The CATPHAN (The Phantom Laboratory, Salem NY) is the current standardfor image quality evaluation. While providing several useful modulesfor different evaluation metrics, each module was designed to beevaluated in a single slice and not for comparison across axialpositions. To characterize the LCR and HU accuracy over an extendedaxial length, we have designed and built a phantom with evaluationmodules at multiple and adjustable axial positions. Results: The modules were made from a cast polyurethane resin. Holes rangingfrom 1/8 to 5/8 inch were added at a constant radius from the modulecenter into which rods of two different plastic materials were pressedto provide two nominal levels of contrast (1.0% and 0.5%). Largerholes were bored to accept various RMI plugs with known electrondensities for HU accuracy evaluation. The modules can be inserted intoan acrylic tube long enough to cover the entire axial FOV and theirpositions adjusted to desired evaluation points. Conclusion: This phantom allows us to measure the LCR and HU accuracy across theaxial coverage within a single acquisition. These metrics can be usedto characterize the impact different trajectories and reconstructionparameters have on clinically relevant image quality performancemetrics. Funding was provided in part by Varian Medical Systems and NIH R01 Grants Nos. CA158446, CA182264, EB018102, and EB000225. The contents of this poster are solely the responsibility of the authors and do not necessarily represent the official view of any of the supporting organizations.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

Development of disposal container designs for disposal of high level waste and legacy spent fuel in the UK - 15471

Radioactive Waste Management Limited (RWM), a fully owned subsidiary of the Nuclear Decommissioning Authority (NDA), is responsible for the implementation of geological disposal in the UK. Three illustrative concepts of a geological disposal facility (GDF), corresponding to three generic geological environments - higher strength rock, lower strength sedimentary rock and evaporite rock - have been developed to demonstrate the viability of geological disposal of intermediate level waste, high level waste and spent fuel. It is envisaged that HLW which has been encapsulated in Waste Vitrification Plant (WVP) canisters, advanced gas-cooled reactor (AGR) SF which has been stripped of their spacers and packaged into slotted fuel cans, and PWR SF will be packaged into disposal containers for disposal. A set of schematic designs of these disposal containers was developed in the late 2000's. The design concept for the higher strength rock environment was based on the joint Posiva/SKB disposal container design, and the design concept for the lower strength sedimentary rock and evaporate rock illustrative environments was based on the disposal container concept from Switzerland's National Cooperative for the Disposal of Radioactive Waste (Nagra). The size, mass and dimensions of the disposal containers in the scheme designs vary significantly. The construction method and the lid closing method also vary between the disposal containers for the different waste contents. A design study has indicated that optimization of the number of HLW WVP canisters and the number of AGR slotted fuel cans in the disposal containers, standardizing construction method and closure arrangement across the containers for each geology type, providing handling features at both ends of the disposal container, and balancing of shielding around the containers, could bring significant advantage to the overall GDF programme by reducing the number of disposal containers, reducing GDF footprint, and reducing the extent of excavations, spoil generated and materials that are required for construction. A project to develop the scheme designs to conceptual level was carried in 2011 to 2013. In this project, the above changes were taken into account, technical underpinning of the designs was carried out and manufacturing method was considered. Two disposal container variants for different host rock environments have been developed: - Variant 1, for compatibility with the higher strength rock illustrative disposal system design. This is constructed from copper, with a cast iron insert and is based on the joint Posiva/SKB disposal container design. - Variant 2, for compatibility with the lower strength sedimentary rock and evaporite rock illustrative disposal system designs. This is a steel container based on the NAGRA disposal container design. Each variant has three internal configurations to accommodate 3 HLW vitrified canisters, 16 consolidated cans of AGR SF and 4 PWR spent fuel assemblies. These designs have been shown to bring significant benefit to the GDF designs, bringing a significant reduction to the operating programme and GDF programme cost, including reducing the number of disposal containers by 33% for HLW, 50% for AGR SF and reducing the size of the GDF footprint by 25%. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Minimizing thickness variation in monolithic U-10Mo fuel foil and Zr interlayer during hot rolling: A microstructure-based finite element method analysis

Low-enriched uranium alloyed with 10 wt. % molybdenum (U-10Mo) has been identified as a promising alternative to highly enriched uranium fuel for the United States’ high performance research reactors. The monolithic U-10Mo fuel plate consists of a metallic U-10Mo fuel foil with a 25 µm Zr interlayer and a relatively thick cladding of aluminum alloy 6061. The Zr interlayer is typically applied during the hot co-rolling process, and this process dictates the uniformity of the Zr interlayer. Thickness variation observed in the U-10Mo and Zr interlayer has been attributed to several sources: the initial grain size of the U-10Mo castings, can materials, rolling temperature, inhomogeneous molybdenum content, and porosity in the cast U-10Mo. This thickness variation limits the ability to meet the dimensional specification; thus, a better understanding of the factors causing the nonuniform thickness is needed. In this work, we used a novel, microstructure-based finite element method to model the hot rolling process to address these concerns. Grain microstructures in U-10Mo were tessellated and explicitly considered in the finite element model. Each grain was assigned a random material property to mimic the grain strength variations induced by different grain orientations. Simulations were performed using six steel can thicknesses, four grain sizes, and with or without a Zr interlayer to investigate the influences of those variables on the thickness nonuniformity. The simulation results showed that a thinner steel can and finer U-10Mo grain size reduce thickness variations in both the U-10Mo fuel foil and Zr interlayer. The direct findings from the simulations and analysis can be used to optimize the hot rolling schedule, reduce fabrication defects, and meet the dimensional specifications. The proposed microstructure-based finite element model can be also coupled with experimental microstructure characterization data, images, and models to simulate multi-pass hot rolling.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Characteristics of the Hot Workability of an AZ91D Magnesium Alloy Using 3D Processing Maps

Hot compression tests were carried out on an a homogenized as-cast AZ91D magnesium alloy at temperatures ranging from 220 °C to 380 °C and strain rates ranging from 0.001 to 10 s{sup −1} by means of a Gleeble-3500 thermo mechanical simulator. True stress-–true strain curves were given. A constitutive modeling of the homogenized alloy was proposed to describe the flow characteristic. The deformation activation energy was estimated to be 142.27 kJ mol{sup −1}. Continuous three-dimensional (3D) processing maps were developed based on the true stress–true strain data as a function of strain, temperature, and strain rate. A detailed interpretation of the established 3D processing maps was conducted. The results showed that the variation of the 3D processing maps was significantly strain dependent. Dynamic recrystallization domains with high-power dissipation efficiencies and instability domains with negative instability coefficient were identified from the 3D power dissipation maps and the 3D instability maps, respectively. It was also revealed that the instability domains distinctly became enlarged with the increasing strain. Optimized temperature and strain rate ranges at various strains were determined. Furthermore, hot workability characteristics were clarified through examining the microstructures obtained under conditions falling within stability and instability domains with various strains. The results proved that the developed 3D processing maps can provide an accurate prediction of the hot deformation behavior for the homogenized AZ91D alloy.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Effect of Homogenization Treatment and Microalloying with Mn on the Microstructure and Hot Workability of AA6060 Aluminum Alloys

The effects of a homogenization treatment and microalloying with Mn on the evolution of the microstructure and hot workability of AA6060 aluminum alloys were investigated. Various homogenization treatments with temperatures ranging from 520 to 610 °C and soaking times from 2 to 16 h were conducted. The results revealed that β-AlFeSi intermetallic was the dominant phase in the as-cast microstructure of the experimental alloys. During the homogenization, the fragmentation of intermetallics occurred and plate-like β-AlFeSi transformed into rod-like α-AlFeSi. In addition, a number of dispersoids precipitated in the 0.1Mn alloy in the temperature range of 520-580 °C. The flow stress behavior of the homogenized AA6060 alloys was mainly determined by the solid solution level. Increasing homogenization temperatures resulted in higher flow stresses owing to the increase in solute atoms in the aluminum matrix. The incremental Mn addition from 0 to 0.1% moderately increased the flow stress by up to 3%. Grain growth occurred in the alloys with low Mn contents (< 0.03Mn) during the high-temperature homogenization (580-610 °C), which resulted in a sudden decrease in the flow stresses and an irregular sample shape after the deformation. Microalloying with Mn (> 0.06%) can effectively prevent grain growth at such temperatures. For an alloy with Mn (0.1%) microalloying, homogenization at 550-580 °C for 6 h could be the optimal condition to balance the flow stress and desirable microstructure.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Thermodynamic modeling of the Ti-Nb-Sn system and its preliminary applications in aging precipitation and solidification simulations

Abstract Gasping the thermodynamic and phase diagram of the materials being studied is essential for further guiding the development process, like composition design, heat treatment optimization and so on. Nb and Sn are common alloying elements in Ti-based biomedical alloys. In this work, the Ti-Nb-Sn system has been thermodynamically assessed based on experimental phase equilibria. A self-consistent thermodynamic description for the Ti-Nb-Sn system including two ternary compounds Ti 3 Nb 3 Sn 2 and Ti 3 NbSn has been obtained. Based on the comparison between the calculated and experimental phase equilibria, the reliability of the presently obtained thermodynamic description has been verified. The influence of Nb and Sn contents on the precipitation temperature and amount of hcp α -Ti phase in bcc β -(Ti, Nb) has been investigated based on thermodynamic calculations. Results show that the increase of Nb or Sn content in Ti-based alloys would significantly reduce the precipitation amount and transformation temperature of hcp α -Ti phase in bcc β -(Ti, Nb) and the influence of Nb content is more effective than that of Sn. The solidified phases in several as-cast alloys have been thermodynamically predicted based on Scheil solidification simulations. The presently developed thermodynamic description of the Ti-Nb-Sn system can serve as a sub-ternary one in the thermodynamic database for multicomponent Ti-based biomedical alloys.

Peng, Yingbiao↗

DOE OSTI2018

Absence of Nanostructuring in NaPb m SbTe m+2 : Solid Solutions with High Thermoelectric Performance in the Intermediate Temperature Regime

Thermoelectric devices directly convert heat into electrical energy and are highly desired for emerging applications in waste heat recovery. Currently, PbTe based compounds are the leading thermoelectric materials in the intermediate temperature regime (~800 K); however, integration into commercial devices has been limited. This is largely because the performance of PbTe, which is maximized ~900 K, is too low over the temperatures of interest for most potential commercial applications (generally under 600 K). Improving the low temperature performance of PbTe based materials is therefore critical to achieve usage outside of existing niche applications. Here, we provide an in-depth study of the cubic NaPb m SbTe m+2 system of compounds (m = 1-20) and report that it is an excellent class of low- to medium-temperature thermoelectrics when m = 10-20. Here, we show that the as-cast polycrystalline ingots exhibit degenerate p-type conduction and high maximum ZTs of 1.2-1.4 at 650 K when m = 6-20. Because the ingots are found to be extremely brittle, we utilize spark plasma sintering (SPS) to prepare more mechanically robust samples, and surprisingly, find that SPS results in an undesired change in charge transport toward n-type behavior. We show this unanticipated transition from p-type behavior as ingots to n-type after SPS is due to dissolution of secondary phases that are present in the ingots into the primary matrix during the SPS process, resulting in a transformation from an inhomogeneous state to a solid solution without any observable evidence of nanoscale precipitation. This is in sharp contrast to the seemingly similar AgPb m SbTe m+2 (LAST) system, which is heavily nanostructured. The SPSed NaPb m SbTe m+2 is doped p-type by tuning the cation stoichiometry, i.e., Na 1+x Pb m-x Sb 1-y Te m+2 . The optimized compounds have very low lattice thermal conductivities of 1.1-0.55 W·m -1 ·K -1 over 300-650 K, which enhances the low intermediate temperature performance and gives rise to maximum ZT values up to 1.6 at 673 K as well as an excellent ZT avg of 1.1 over 323-673 K for m = 10, 20, making Na 1+x Pb m-x Sb 1-y Te m+2 among the highest performing PbTe-based thermoelectrics under 650 K.

Electrical conductivity↗