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Synthesis, optical imaging, and absorption spectroscopy data for 179072 metal oxides
Abstract Optical absorption spectroscopy is an important materials characterization for applications such as solar energy generation. This data descriptor describes the to date (Dec 2018) largest publicly available curated materials science dataset for near infrared to near UV (UV-Vis) light absorbance, composition and processing properties of metal oxides. By supplying the complete synthesis and processing history of each of the 179072 samples from 99965 unique compositions we believe the dataset will enable the community to develop predictive models for materials, such as prediction of optical properties based on composition and processing, and ultimately serve as a benchmark dataset for continued integration of machine learning in materials science. The dataset is also a resource for identifying materials composition and synthesis to attain specific optical properties.
Simple effective conservative treatment of uncertainty from sparse samples of random functions
This paper examines the variability of predicted responses when multiple stress-strain curves (reflecting variability from replicate material tests) are propagated through a finite element model of a ductile steel can being slowly crushed. Over 140 response quantities of interest (including displacements, stresses, strains, and calculated measures of material damage) are tracked in the simulations. Each response quantity’s behavior varies according to the particular stress-strain curves used for the materials in the model. We desire to estimate response variability when only a few stress-strain curve samples are available from material testing. Propagation of just a few samples will usually result in significantly underestimated response uncertainty relative to propagation of a much larger population that adequately samples the presiding random-function source. A simple classical statistical method, Tolerance Intervals, is tested for effectively treating sparse stress-strain curve data. The method is found to perform well on the highly nonlinear input-to-output response mappings and non-standard response distributions in the can-crush problem. The results and discussion in this paper support a proposition that the method will apply similarly well for other sparsely sampled random variable or function data, whether from experiments or models. Finally, the simple Tolerance Interval method is also demonstrated to be very economical.
Modeling of intense pulsed ion beam heated masked targets for extreme materials characterization
Intense, pulsed ion beams locally heat materials and deliver dense electronic excitations that can induce material modifications and phase transitions. Material properties can potentially be stabilized by rapid quenching. Pulsed ion beams with pulse lengths of order ns have recently become available for materials processing. Here, we optimize mask geometries for local modification of materials by intense ion pulses. The goal is to rapidly excite targets volumetrically to the point where a phase transition or local lattice reconstruction is induced followed by rapid cooling that stabilizes desired material's properties fast enough before the target is altered or damaged by, e.g., hydrodynamic expansion. By using a mask, the longitudinal dimension can be large compared to the transverse dimension, allowing the possibility of rapid transverse cooling. We performed HYDRA simulations that calculate peak temperatures for a series of excitation conditions and cooling rates of silicon targets with micro-structured masks and compare these to a simple analytical model. In conclusion, the model gives scaling laws that can guide the design of targets over a wide range of pulsed ion beam parameters.
Production, purification and availability of 211 At: Near term steps towards global access
We report the promising characteristics of the 7.2-h radiohalogen 211 At have long been recognized; including having chemical properties suitable for labeling targeting vectors ranging from small organic molecules to proteins, and the emission of only one α-particle per decay, providing greater control over off-target effects. Unfortunately, the impact of 211 At within the targeted α-particle therapy domain has been constrained by its limited availability. Paradoxically, the most commonly used production method – via the 209 Bi(α,2n) 211 At reaction – utilizes a widely available natural material (bismuth) as the target and straightforward cyclotron irradiation methodology. On the other hand, the most significant impediment to widespread 211 At availability is the need for an accelerator capable of generating ≥28 MeV α-particles with sufficient beam intensities to make clinically relevant levels of 211 At. In this review, current methodologies for the production and purification of 211 At – both by the direct production route noted above and via a 211 Rn generator system – will be discussed. The capabilities of cyclotrons that currently produce 211 At will be summarized and the characteristics of other accelerators that could be utilized for this purpose will be described. Finally, the logistics of networks, both academic and commercial, for facilitating 211 At distribution to locations remote from production sites will be addressed.
Erbium-implanted materials for quantum communication applications
Erbium-doped materials can serve as spin-photon interfaces with optical transitions in the telecom C band, making them an exciting class of materials for long-distance quantum communication. However, the spin and optical coherence times of Er 3+ ions are limited by currently available host materials, motivating the development of new Er 3+ -containing materials. Here we demonstrate the use of ion implantation to efficiently screen prospective host candidates, and show that disorder introduced by ion implantation can be mitigated through post-implantation thermal processing to achieve inhomogeneous linewidths comparable to bulk linewidths in as-grown samples. We present optical spectroscopy data for each host material, which allows us to determine the level structure of each site, allowing us to compare the environments of Er 3+ introduced via implantation and via doping during growth. Here, we demonstrate that implantation can generate a range of local environments for Er 3+ , including those observed in bulk-doped materials, and that the populations of these sites can be controlled with thermal processing.
Preparation and Characterization of a Master Blend of Plutonium Oxide for the 3013 Large Scale Shelf-Life Surveillance Project
A mixture of chlorine-containing, impure plutonium oxides has been produced and has been given the name Master Blend. This large quantity of well-characterized chlorinecontaining material is available for use in the Integrated Surveillance and Monitoring Program for shelf-life experiments. It is intended to be representative of materials packaged to meet DOE-STD-3013.1 The Master Blend contains a mixture of items produced in Los Alamos National Laboratory’s (LANL) electro-refining pyrochemical process in the late 1990s. Twenty items were crushed and sieved, calcined to 800ºC for four hours, and blended multiple times. This process resulted in four batches of Master Blend. Calorimetry and density data on material from the four batches indicate homogeneity.
A regenerative concept for thermoelectric power generation
Here this paper presents a regenerative concept for thermoelectric (TE) based waste heat recovery systems called thermoelectric generators (TEGs). TEG is usually a modified heat exchanger with the addition of thermoelectric modules (TEMs) to recover waste heat for power generation. To utilize heat from high temperature heat sources, current researches have largely been focused on the development of high temperature TE materials. In this study, we describe a regeneration concept in which a precooler is used to lower the temperature of the hot gas and at the same time regenerate hot air from the cold air supply for Bi 2 Te 3 -based TEGs, avoiding the use of high-temperature thermoelectric materials. It is found that the regenerative TEGs can achieve a similar power output compared with TEGs using high temperature TE materials such as filled-skutterudites (combined filled skutterudites and Bi 2 Te 3 TE materials) through obtaining a higher heat scavenging rate. Thus, the regenerative TEGs also have a similar absolute efficiency, defined according to the total available enthalpy from the hot gas. This could represent a paradigm shift in the TEG research and development, that much lower-cost, reliable, and readily available TE materials and modules can be used for high temperature applications, and will ultimately enable wide spread deployment of TEGs for real world waste heat recovery applications.
Modified silicon-germanium alloys with improved performance
This paper discusses the results of a program on the modification of silicon-germanium alloys by means of small extraneous material additions in order to improve their figures-of-merit. A review of the properties that constitute the figure-of-merit indicates that it is the relatively high thermal conductivity of silicon-germanium alloys that is responsible for their low values of figure-of-merit. The intent of the effort discussed in this paper is therefore the reduction of the thermal conductivity of silicon-germanium alloys by minor alloy additions and/or changes in the basic structure of the material. Because Group III and V elements are compatible with silicon and germanium, the present effort in modifying silicon-germanium alloys has concentrated on additions of gallium phosphide. A significant reduction in thermal conductivity, approximately 40 to 50 percent, has been demonstrated while the electrical properties are only slightly affected as a result. The figure-of-merit of the resultant material is enhanced over that of silicon-germanium alloys and when fully optimized is potentially better than that of any other presently available thermoelectric material.
Solar silicon via the Dow Corning process
Technical feasibility for high volume production of solar cell-grade silicon is investigated. The process consists of producing silicon from pure raw materials via the carbothermic reduction of quartz. This silicon was then purified to solar grade by impurity segregation during Czochralski crystal growth. Commercially available raw materials were used to produce 100 kg quantities of silicon during 60 hour periods in a direct arc reactor. This silicon produced single crystalline ingot, during a second Czochralski pull, that was fabricated into solar cells having efficiencies ranging from 8.2 percent to greater than 14 percent. An energy analysis of the entire process indicated a 5 month payback time.
Thermal protection materials: Thermophysical property data
This publication presents a thermophysical property survey on materials that could potentially be used for future spacecraft thermal protection systems (TPS). This includes data that was reported in the 1960's as well as more current information reported through the 1980's. An attempt was made to cite the manufacturers as well as the data source in the bibliography. This volume represents an attempt to provide in a single source a complete set of thermophysical data on a large variety of materials used in spacecraft TPS analysis. The property data is divided into two categories: ablative and reusable. The ablative materials have been compiled into twelve categories that are descriptive of the material composition. An attempt was made to define the Arrhenius equation for each material although this data may not be available for some materials. In a similar manner, char data may not be available for some of the ablative materials. The reusable materials have been divided into three basic categories: thermal protection materials (such as insulators), adhesives, and structural materials.
Aeolian processes on Venus
Many of the questions regarding aeolian processes on Venus and the subsequent implications for surface history involve understanding the physics of particle motion in the venusian environment. The surface environment of Venus is simulated as closely as practicable using the Venus Wind Tunnel and to determine threshold wind speeds, particle flux, particle velocities, and the characteristics of various aeolian bedforms. Despite the relatively low wind speeds on Venus, the flux of windblown material on Venus is potentially high. A high fraction of material is transported as surface creep by rolling, estimates yield rates up to 100 kg per cm lane width per year depending upon the availability of material and wind frequency, suggesting that the formation of lowland plains by aeolian processes and the burial of various landforms such as impact craters could occur on short geological time-scales. Wind tunnel simulations demonstrate that aeolian processes may be very effective in modifying the surface through erosion and deposited and may have an important influence on the composition of the atmosphere.
Overview of Coupon Testing of an IM7/8552 Composite Required to Characterize High-Energy Impact Dynamic Material Models
As part of NASA’s Advanced Composites Project (ACP), a significant research effort was established to develop and mature analysis methods for composite materials particularly applicable to high-energy dynamic impact applications. An overall goal was to develop and advance analysis methods that can be characterized using fundamental coupon level tests. Based on this fundamental characterization, simulations at the higher levels of a building block approach can be purely predictive. The tests described in this report were performed on a unidirectional carbon fiber polymer matrix composite, IM7/8552 tape, as this material system is representative of a modern aerospace grade carbon fiber tape system. These tests were chosen to provide fundamental material characterization data for three representative progressive damage and failure analysis material models available within the LS-DYNA commercial transient dynamic finite element code for use in the simulation of the dynamic and impact response of composite materials. Two of the material models, MAT162 and MAT261, are well established material models within LS-DYNA. The third material model, MAT213, is under active development. Testing consisted primarily of ASTM-type standard tests, and the tests that were performed were consistent with the needs of all three models. Additionally, coupon level tests were performed that can be used to characterize a delamination model (e.g., cohesive zone or tie-break contact). While, the tests described in this report provide fundamental material characterization data for all three of the material models mentioned above, the data is applicable to additional material models not discussed.
Decontamination of urban surfaces contaminated with radioactive materials and consequent onsite recycling of the waste water
Enhancing rapid remediation strategies is paramount for recovery after a large-scale nuclear contamination event in an urban environment. Some current strategies recommend use of readily available equipment, materials, and facilities to expedite recovery. For example, applying pressurized water to contaminated surfaces may effectively remove radioactive contamination. In this study, a commercial power washer removes soluble forms of 152 Eu 3 + , 85 Sr 2 + , and 137 Cs + contamination from common porous building materials, and computer simulations characterize the recycling of the resultant contaminated wash water. Pressure washing the porous building materials under spray conditions typical with do-it-yourself units improved decontamination factors (DFs) for 152 Eu compared to low-pressure application of tap water (majority of two-tailed t-test p-values < 0.1), but pressure did not improve DFs for 137 Cs or 85 Sr. For both pressurized and low-pressure applications, adding potassium ions (K + ) to promote ion exchange reactions produced significantly higher DFs for tested radionuclides on asphalt, brick, and concrete. The resultant contaminated wash water can be processed through self-prepared chemical filtration beds of clay and sand. Modeled in a prior study, the beds yielded linear trends (R 2 > 0.98) in sensitivity analyses between most bed configuration variables and bed performance variables, permitting flexible ad-hoc bed design. The experimental and simulation results led to estimates of the remediation rate and waste generated after cleaning 250 m 2 of cesium-contaminated concrete from the combined deployment of a power washer and two different mobile treatment beds. Furthermore, the first treatment bed was designed to reduce treatment time and processed 1900 L of wash solution in 70 min using 880 kg of clay/sand infill material. Designed to reduce the solid waste generated, the second bed processed the same solution volume in 1040 min (17 h) using 170 kg of clay/sand infill material. The results of this analysis warrant further investigation of power washing with recycled salt solution as an effective rapid decontamination method with manageable waste.
An Overview of Material Models in the BISON Fuel Performance Code
BISON is a modern finite element-based nuclear fuel performance code that has been under development at Idaho National Laboratory (INL) since 2009. The code is applicable to both steady and transient fuel behavior and supports the use of one-, two-, and three-dimensional meshes. BISON is designed to be a multi-fuels code. Although primarily applied to Light Water Reactor (LWR) fuel to date, the code has been used to analyze TRISO-coated particle fuel and metal fuel in rod and plate form, design and interpret fuel irradiation experiments and investigate novel fuel concepts. Nuclear fuel operates in an extreme environment that induces complex multiphysics phenomena occurring over distances ranging from inter-atomic spacing to meters, and times scales ranging from microseconds to years. To simulate this behavior requires a wide variety of material models which are often complex and nonlinear. Nearly all of the material models currently available in BISON are empirical, using correlations from existing fuel performance codes or material property libraries. Although these models perform adequately under many conditions, they have well-understood limitations. One obvious weakness is that the models are only valid in the domain of the associated experimental data, and extrapolating beyond this domain can result in substantial errors. A further weakness is that these models are often correlated in terms of imprecise quantities, such as burnup. Materials can, for example, reach a given burnup under very different circumstances, leading to very different material behavior. To overcome these weaknesses, efforts are underway with BISON to develop models based on a multi-scale approach, where material behavior is described with a series of interdependent microstructure based models. This paper provides an overview of the material models available in BISON. To keep the scope manageable, only LWR fuel will be considered. The first section focuses on UO{sub 2} fuel, identifying the models generally required and briefly describing those that have been implemented in the code. The second section repeats this approach for Zircaloy cladding. A final section provides examples of areas where multi-scale material modeling has been applied to BISON. BISON is a modern 2D and 3D nuclear fuel performance code that is applicable to multiple fuel forms. A wide variety of complex and nonlinear material models are required to simulate fuel behavior. Focusing on UO{sub 2} fuel and Zircaloy cladding (LWR fuel), the set of empirical models currently implemented in BISON have been reviewed. To overcome some of the deficiencies associated with empirical models, multi-scale material models are being developed. Two multi-scale models that have been used in BISON were reviewed. (authors)
A new n-type half-Heusler thermoelectric material NbCoSb
Highlights: • Half-Heusler alloy NbCoSb with 19 valence electron count was studied as TE material. • It is surprising that NbCoSb is n-type. • A maximum ZT of ∼0.4 is achieved at 700 °C without optimization. • It opens up a new route to develop new half-Heusler thermoelectric materials. • It is very interesting that a traditionally thought of VEC of 18 is not required. - Abstract: We surprisingly made a new n-type thermoelectric compound NbCoSb with half-Heusler (HH) structure having valence electron count of 19, different from the traditional 18, which opens up a new route to develop new half-Heusler thermoelectric materials not following the traditional valence electron count of 18. The samples are made by arc melting followed by ball milling and hot pressing. The effect of hot pressing temperature on the thermoelectric properties of NbCoSb samples has been studied. A maximum thermoelectric figure-of-merit (ZT) of ∼0.4 is achieved at 700 °C in NbCoSb sample that is hot pressed at 1000 °C. This work add a new member to HH compounds for thermoelectric applications, although the peak ZT of ∼0.4 is still lower than that of the traditional HHs. Moreover, it is very interesting to see that a traditionally thought of valence electron counts of 18 is not required.
Fire retardancy using applied materials
An example of advanced technology transfer from the Little Joe, Surveyor, Comsat, re-entry and Apollo age to everyday fire protection needs is presented. Utilizing the principle of sublimation cooling for thermostatic temperature control, the material meets a wide range of fire retardancy and heat transmission control requirements. Properties vary from flexible tape for conduits and electrical cables to rigid coatings for column protection, with a broad spectrum of sublimation temperatures available. The material can be applied in the field or in the factory, utilizing mass production techniques, yielding a product that is reliable, effective, widely available and low in cost.
Report of the Panel on Materials
Materials and manufacturing technology are critical to advanced aircraft and permeate all disciplines. Current aircraft systems employ a variety of materials, each selected to provide the best vehicle design in terms of performance, safety, reliability, manufacturability, and life cycle cost. However, a mistake in materials selection could bankrupt an airframe or engine manufacturer. Thus, the introduction of new materials is a slow process. Generally, new materials are used initially in noncritical components until their performance in service can be confirmed. Then, as confidence grows, they are used in more and more critical applications. Finally, if appropriate, new materials are used in critical, static elements and then in dynamic components. Thus, because the nominal time for development of a conventional monolithic material ranges from 5 to 10 years there is a 10- to 15- year lag between laboratory effort and introduction into service. Therefore, to assure the availability of materials suitable for production aircraft and engines in the year 2000, the concepts already must have been identified and must be progressing along evolutionary paths toward application. Trends, actual and projected, in the use of materials for commercial engines are shown in Figure 4-1. Related military applications are projected to follow similar paths. The new actor will be composites. The panel examined a wide range of materials important to all aspects of aircraft development, airframe structures, propulsion systems and for other important aircraft subsystems. These are addressed in the body of the report in terms of the current state of the art, opportunities for improvement, and barriers to achievement of projected benefits. This is followed by projections of the progress of technology that could be realized by the year 2000 with the application of appropriate resources.