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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↗

DOE OSTI2019

Temperature‐Dependent Aggregation Donor Polymers Enable Highly Efficient Sequentially Processed Organic Photovoltaics Without the Need of Orthogonal Solvents

Abstract The conventional method to prepare bulk‐heterojunction organic photovoltaics (OPVs) is a one‐step method from the blend solution of donor and acceptor materials, known as blend‐casting (BC). Recently, an alternative method was demonstrated to achieve high efficiencies (13%) comparable to state‐of‐the‐art BC devices. This two‐step‐coating method, known as “sequential processing,” (SqP) involves sequential deposition of the donor and then the acceptor from two orthogonal solvents. However, the requirement of orthogonal solvents to process the donor and acceptor constrains the choice of materials and processing solvents. In this paper, an improved version of SqP method without the need for using orthogonal solvents is reported. The success is based on donor polymers with strong temperature‐dependent aggregation properties whose solution can be processed at a high temperature, but the resulting film becomes completely insoluble at room temperature, which allows for the processing of overlying acceptors from a wide range of nonorthogonal solvents. With this approach, efficient SqP OPVs is demonstrated based on a range of donor/acceptor materials and processing solvents, and, in every single case, SqP OPVs can outperform their BC counterparts. The results broaden the solvent choices and open a much larger window to optimize the processing parameters of SqP method.

Arunagiri, Lingeswaran↗

DOE OSTI2025

Optimization of catholyte for halide-based all-solid-state batteries

Halide solid electrolytes gain significant attention due to their high ionic conductivity, low processing temperature, dry air compatibility, and high-voltage stability. However, low cathode active material (CAM) loading in the composite cathode constrains the realization of high energy density for halide-based all-solid-state batteries. In this study, three halide materials, raw Li 3 YBrCl 5 (LYBC-R, <30μm), milled LYBC (LYBC-M, <5 μm) and freeze-dried Li 3 InCl 6 (LIC, <500 nm), were used as catholytes, combined with LYBC-M as the electrolyte and LiIn alloy as the anode. The CAM:catholyte ratio was investigated as well as stack pressure and operating temperature. Our study demonstrates that particle size of the catholyte plays an important role only for high CAM loading or high C-rate cycling. At moderate CAM loading (65 and 70wt% LiNi 0.83 Mn 0.06 Co 0.11 O 2 ) and 0.1 C-rate, all the three catholytes perform well, providing initial discharge capacities >177 mAh/g. At high CAM loading (85wt%) and 0.1 C-rate, a cathode with the nano-scale LIC catholyte provides discharge capacity of 175 mAh/g, while the larger particle size catholytes suffer significantly reduced capacity. Both LYBC and LIC catholytes provided capacity retention >80% after 200 cycles at 0.5C. These results imply that cathode particle size is critically important for performance at high CAM loading. Furthermore, both electrolyte and cathode were tape cast to scale up size and prepare realistic layer thicknesses. A small amount of binder was used in both layers, to balance the electrochemical performance and mechanical properties. Further, the discharge capacity of a tape cell was 152mA h/g at 0.1C with a capacity retention of 81.8% after 20 cycles at 0.5C. The results demonstrate the excellent performance of LYBC as an electrolyte, and provide guidance for halide-based cathode design.

25 ENERGY STORAGE↗

DOE OSTI2018

Casting a wide signal net with future direct dark matter detection experiments

As dark matter (DM) direct detection experiments continue to improve their sensitivity they will inevitably encounter an irreducible background arising from coherent neutrino scattering. This so-called "neutrino floor" may significantly reduce the sensitivity of an experiment to DM-nuclei interactions, particularly if the recoil spectrum of the neutrino background is approximately degenerate with the DM signal. This occurs for the conventionally considered spin-independent (SI) or spin-dependent (SD) interactions. In such case, an increase in the experiment's exposure by multiple orders of magnitude may not yield any significant increase in sensitivity. The typically considered SI and SD interactions, however, do not adequately reflect the whole landscape of the well-motivated DM models, which includes other interactions. Since particle DM has not been detected yet in laboratories, it is essential to understand and maximize the detection capabilities for a broad variety of possible models and signatures. Here, we investigate the impact of the background arising from various neutrino sources on the discovery potential of a DM signal for a large class of viable DM-nucleus interactions and several potential futuristic experimental settings, with different target elements. For some momentum suppressed cross sections, large DM particle masses and heavier targets, we find that there is no suppression of the discovery limits due to neutrino backgrounds. Further, we explicitly demonstrate that inelastic scattering, which could appear in models with multicomponent dark sectors, would help to lift the signal degeneracy associated with the neutrino floor. This research could assist with mapping out the optimal DM detection strategy for the next generation of experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Energy storage in combined gas-electric energy transitions models: The case of California

California’s vision for a net-zero future by 2045 relies heavily on variable renewable energy systems. Thus, energy storage - particularly long-duration storage - could play a fundamental role in reliably supplying low-carbon electricity. We study energy storage using the BRIDGES model, a combined gas-electric capacity expansion model for California across multiple investment periods (2025-2045), modeled with progressively decreasing carbon emission targets to a zero emissions by 2045. This least-cost optimization model includes renewable gas production via power-to-gas, long-term storage of energy in gaseous form, electric energy storage such as through batteries and hydrogen storage, and renewable energy generation, all with capacity tracking and investment. Multiple scenarios are evaluated to examine the sensitivity of the optimal storage portfolio to system-level and sector-level parameters. The scenario results show that all electric energy storage systems - which vary in storage duration - are deployed and required in a net-zero California in 2045, amounting to around 75 GW of storage capacity. Lithium ion systems make up approximately 80% of this power capacity and supply most short-run storage needs. Hydrogen storage - in the form of a power-to-gas-to-power system - emerges as a replacement to conventional natural gas storage, comprising most of the total energy storage capacity (~ 4 TWh). This capacity is less than 5% of the current natural gas storage capacity (94 TWh), indicating sufficient room for repurposing part of the gas infrastructure. A demand-side sensitivity analysis proves that higher electricity demand correlates with more builds of Li-ion batteries, while higher industrial heat demand leads to more builds of long-duration storage systems in a net-zero economy. Furthermore, power-to-gas systems satisfy part of the industrial heat demand by locally supplying renewable gas, which overtakes the traditional centralized gas storage and transfers through pipelines, casting significant doubts on the future of the large-scale gas infrastructure.

03 NATURAL GAS↗

NASA NTRS2013

A Mars Sample Return Sample Handling System

We present a sample handling system, a subsystem of the proposed Dragon landed Mars Sample Return (MSR) mission [1], that can return to Earth orbit a significant mass of frozen Mars samples potentially consisting of: rock cores, subsurface drilled rock and ice cuttings, pebble sized rocks, and soil scoops. The sample collection, storage, retrieval and packaging assumptions and concepts in this study are applicable for the NASA's MPPG MSR mission architecture options [2]. Our study assumes a predecessor rover mission collects samples for return to Earth to address questions on: past life, climate change, water history, age dating, understanding Mars interior evolution [3], and, human safety and in-situ resource utilization. Hence the rover will have "integrated priorities for rock sampling" [3] that cover collection of subaqueous or hydrothermal sediments, low-temperature fluidaltered rocks, unaltered igneous rocks, regolith and atmosphere samples. Samples could include: drilled rock cores, alluvial and fluvial deposits, subsurface ice and soils, clays, sulfates, salts including perchlorates, aeolian deposits, and concretions. Thus samples will have a broad range of bulk densities, and require for Earth based analysis where practical: in-situ characterization, management of degradation such as perchlorate deliquescence and volatile release, and contamination management. We propose to adopt a sample container with a set of cups each with a sample from a specific location. We considered two sample cups sizes: (1) a small cup sized for samples matching those submitted to in-situ characterization instruments, and, (2) a larger cup for 100 mm rock cores [4] and pebble sized rocks, thus providing diverse samples and optimizing the MSR sample mass payload fraction for a given payload volume. We minimize sample degradation by keeping them frozen in the MSR payload sample canister using Peltier chip cooling. The cups are sealed by interference fitted heat activated memory alloy caps [5] if the heating does not affect the sample, or by crimping caps similar to bottle capping. We prefer cap sealing surfaces be external to the cup rim to prevent sample dust inside the cups interfering with sealing, or, contamination of the sample by Teflon seal elements (if adopted). Finally the sample collection rover, or a Fetch rover, selects cups with best choice samples and loads them into a sample tray, before delivering it to the Earth Return Vehicle (ERV) in the MSR Dragon capsule as described in [1] (Fig 1). This ensures best use of the MSR payload mass allowance. A 3 meter long jointed robot arm is extended from the Dragon capsule's crew hatch, retrieves the sample tray and inserts it into the sample canister payload located on the ERV stage. The robot arm has capacity to obtain grab samples in the event of a rover failure. The sample canister has a robot arm capture casting to enable capture by crewed or robot spacecraft when it returns to Earth orbit

Wilson, David↗

DOE OSTI2018

Small Fatigue Crack Growth Mechanisms and Interfacial Stability in Cold-Spray 6061 Aluminum Alloys and Coatings

Cold-spray-processed aluminum alloys have static mechanical properties superior to those of aerospace cast alloys, and similar to those of their wrought counterparts, making them good candidates for structural applications. However, their broad and confident use relies upon systematic fatigue crack growth studies to investigate and demonstrate the materials' performance in critical high-integrity components. In this work, the fatigue crack growth behavior in early stages (small crack growth regime) was investigated for cold-spray processed 6061 aluminum alloys and coatings, at stress ratio R = 0.1, in room temperature laboratory air. The effects of the characteristic microstructure and initial flaw size on the fatigue crack growth response were systematically examined, and the crack growth mechanisms at the microstructural scale were established and compared to those of long cracks. The mechanical interfacial stability of coatings was examined in cold-spray 6061-rolled 6061-T6 couples. An original method of quantifying the deposition-substrate interfacial strength, and correlating it to the response under cyclic loading via crack-interface stability maps, was developed. The proposed methodology is based on combined scratch testing and fracture mechanics formulations, and failure at the coating-substrate interface can be predicted for any crack growth scenario under cyclic loading. The method can be broadly used for the design and optimization of cold-spray and other coatings, as well as in structural repair.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Elucidating the Role of Carbon Conductive Additive in the Processing and Electrochemical Behavior of Surface-Modified Si Anodes

In the present work, we explore the impact of conducting carbon on the processing of silicon (Si)-rich electrodes, their resulting cycling performance, and parasitic side reactions. We employed three different carbon additives, Super C45 (carbon black), Super C65 (carbon black), and TIMCAL C-NERGY KS 6L (graphite), with varying sizes and morphologies to determine how these parameters influence the structure and the electrochemical behavior of the cast electrodes. Raman mapping indicates that the improved performance achieved using C45 can be explained by the homogeneous distribution of Si and carbon, enabling the formation of continuous electrical pathways throughout the electrode. Further, this finding aligns with the results of ζ potential measurements, which indicate that C45 can maintain more stable dispersions in N-methyl-2-pyrrolidone (NMP) compared with the other carbon additives. However, electrodes with C45 as the conducting agent exhibited increased parasitic side reactions, as evidenced by the leakage current obtained from voltage hold experiments. These side reactions can have adverse effects on the calendar life of the electrode. Furthermore, the Raman maps of the electrodes reveal heterogeneities in Si and carbon distribution with lower carbon content, especially with only 2% carbon. This drastically impacts the cyclability of the electrodes, with portions of the low-carbon electrodes that remain unable to undergo cycling even at slow rates (0.2 Ah g –1 ). Additionally, we found that slower formation rates are favored in the context of parasitic side reactions, although slower formation rates can potentially create thicker passivating films that could hinder Li + -ion transport. Therefore, we emphasize the need for an intricate balance in materials selection and cycling protocol for optimal electrode processing and electrochemical behavior.

25 ENERGY STORAGE↗

DOE OSTI2016

Molybdeno-Aluminizing of Powder Metallurgy and Wrought Ti and Ti-6Al-4V alloys by Pack Cementation process

Wear and high temperature oxidation resistance of some titanium-based alloys needs to be enhanced, and this can be effectively accomplished by surface treatment. Molybdenizing is a surface treatment where molybdenum is introduced into the surface of titanium alloys causing the formation of wear-resistant surface layers containing molybdenum, while aluminizing of titanium-based alloys has been reported to improve their high temperature oxidation properties. Whereas pack cementation and other surface modification methods have been used for molybdenizing or aluminizing of wrought and/or cast pure titanium and titanium alloys, such surface treatments have not been reported on titanium alloys produced by powder metallurgy (PM). Also a critical understanding of the process parameters for simultaneous one step molybdeno-aluminizing of titanium alloys by pack cementation and the predominant mechanism for this process have not been reported. The current research work describes the surface modification of titanium and Ti-6Al-4V prepared by PM by molybdeno-aluminizing and analyzes thermodynamic aspects of the deposition process. Similar coatings are also deposited to wrought Ti-6Al-4V and compared. Characterization of the coatings was carried out using scanning electron microscopy and x-ray diffraction. For both titanium and Ti-6Al-4V, the use of a powder pack containing ammonium chloride as activator leads to the deposition of molybdenum and aluminium into the surface but also introduces nitrogen causing the formation of a thin titanium nitride layer. In addition, various titanium aluminides and mixed titanium aluminium nitrides are formed. The appropriate conditions for molybdeno-aluminizing as well as the phases expected to be formed were successfully determined by thermodynamic equilibrium calculations. - Highlights: •Simultaneous co-deposition of Mo-Al onto powder metallurgy and wrought Ti alloy •Thermodynamic calculations were used to optimize deposition conditions •External TiN and internal a Mo-rich layer on all alloy substrates •Titanium aluminides and Ti-Al mixed nitrides are formed on Ti-6Al-4V •The presence of Al and V alloying elements modifies the diffusion of Mo.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Solar cell efficiency and high temperature processing of n -type silicon grown by the noncontact crucible method

The capital expense (capex) of conventional crystal growth methods is a barrier to sustainable growth of the photovoltaic industry. It is challenging for innovative techniques to displace conventional growth methods due the low dislocation density and high lifetime required for high efficiency devices. One promising innovation in crystal growth is the noncontact crucible method (NOC-Si), which combines aspects of Czochralski (Cz) and conventional casting. This material has the potential to satisfy the dual requirements, with capex likely between that of Cz (high capex) and multicrystalline silicon (mc-Si, low capex). In this contribution, we observe a strong dependence of solar cell efficiency on ingot height, correlated with the evolution of swirl-like defects, for single crystalline n -type silicon grown by the NOC-Si method. We posit that these defects are similar to those observed in Cz, and we explore the response of NOC-Si to high temperature treatments including phosphorous diffusion gettering (PDG) and Tabula Rasa (TR). The highest lifetimes (2033 us for the top of the ingot and 342 us for the bottom of the ingot) are achieved for TR followed by a PDG process comprising a standard plateau and a low temperature anneal. Further improvements can be gained by tailoring the time-temperature profiles of each process. Lifetime analysis after the PDG process indicates the presence of a getterable impurity in the as-grown material, while analysis after TR points to the presence of oxide precipitates especially at the bottom of the ingot. Uniform lifetime degradation is observed after TR which we assign to a presently unknown defect. Lastly, future work includes additional TR processing to uncover the nature of this defect, microstructural characterization of suspected oxide precipitates, and optimization of the TR process to achieve the dual goals of high lifetime and spatial homogenization.

14 SOLAR ENERGY↗

DOE OSTI2026

Influence of microstructure and temperature on impact toughness of H13 steel produced by binder jet additive manufacturing

Binder Jet Additive Manufacturing (BJAM) is a promising manufacturing pathway to produce H13 steel dies and tooling with complex geometries for applications in high pressure aluminum die casting, hot stamping, and injection molding. While fully dense H13 coupons produced using BJAM have been subjected to detailed microstructure characterization, properties which are critical and relevant to the aforementioned applications, such as impact toughness, have not been reported. Here, this work evaluated the influence of microstructural characteristics and test temperature on the impact toughness of H13 produced by BJAM. Coupons were produced from three different powder size distributions (PSDs), with nominal powder size ranges of −22 μm, 10-32 μm, and 15-53 μm. Coupons were printed, sintered, hot isostatically pressed (HIPed), and heat treated by quenching and tempering. After HIPing, the measured porosities of the different PSDs were all less than 0.015 vol%. The −22 μm PSD BJAM material exhibited the best impact toughness of all three PSDs across the entire test temperature range from 25 to 400 °C, and also exhibited an ambient temperature impact toughness of 10.9 J at a hardness of 46 HRC, equivalent to minimum threshold requirements for premium grade H13. However, all three BJAM PSDs exhibited moderately lower impact toughness than premium grade wrought H13 from RT to 400 °C. We attribute this in part due to the very large prior-austenite grain (PAG) sizes near 400 μm and segregation from former liquid channels leading to greater amounts of carbide precipitation on PAG boundaries. Technical pathways for optimizing processing and chemistry of BJAM H13 to further improve impact toughness are discussed.

Binder jet additive manufacturing↗

DOE OSTI2026

Affinity and Treatment of LDR Organics in Low Activity Waste by Cementitious Materials – 26109

The physiochemical interactions between organic contaminants, minerals, and polymer additives in grout/cementitious materials are being identified. This research supports a proposed Resource Conservation and Recovery Act (RCRA) treatment variance relevant to the Land Disposal Restriction (LDR) organics present in Hanford tank waste. It provides the technical basis to address the aspects documented by the Environmental Protection Agency in a draft memo necessary to establish that organics can be immobilized/stabilized in a cementitious matrix. The organic species may interact with cementitious minerals, including slag, fly ash, cement, and other components/dopants like activated carbon. A list of 132 reasonably expected LDR organics associated with Hanford tank waste (RPP-RPT-63493, Rev 1a) was screened by functional groups, octanol-water partitioning coefficients, and detection frequency in Hanford tank waste samples. A subset of 15 compounds spanning the identified properties was tested using sorption and leachate tests. These compounds were subjected to traditional batch sorption tests and leaching tests on/from Cast Stone cementitious material with and without activated carbon (a potential organic adsorption additive). The interactions between organic compounds were observed in traditional batch sorption and modified TCLP leachate tests for surrogate Cast Stone material with and without activated carbon addition. Specifically, phthalic acid (negatively charged) and 4-chloroaniline (polar) sorbed strongly to unmodified Cast Stone, while a group of three phenolic compounds (2,4,6-Trichlorophenol, Pentachlorophenol, o-Cresol) sorbed to and were retained by Cast Stone with a 1% activated carbon amendment. Mixtures of these compounds demonstrated visible retention of the organics within the matrix with a quantifiable affinity of the organics to the cement. This novel testing supports the notion that organics within Hanford tank waste would be retained onto the cement phase with the addition of simple materials easily added to the formulation as part of the treatment process. To further provide additional support to this claim, models employing Flory-Huggins theory in conjunction with macromolecular and organic molecule solubility parameters and species activity coefficients are being utilized to better understand these interactions. Within this context, Van Krevelen (VK) and Hansen organic and polymer solubility parameters were used to inform the Flory-Huggins interaction parameter, allowing for a quantifiable method of evaluating polymer-solvent compatibility and, by extension, interactions with proposed binding additives (e.g., activated carbon). These models and measurement should test the hypothesis for our systems understanding and applicability of Flory-Huggins theory, and whether the prediction of organics in the polymer phase versus the aqueous phase can be confidently made using this strategy. The estimation of the organic molecular activity coefficient in these high salt-saturated aqueous systems is another factor that will be assessed. This project aims to predict and understand complicated organic interactions in these heterogenous systems, guiding optimal treatment and stabilization methodologies.

Jolin, Will [Savannah River National Laboratory (S↗

DOE OSTI2016

Effective Exploration of New 760°C-Capability Steels for Coal Energy

Cost effective and high performance alloys that are capable of operating at 760 °C or higher for extended periods of time under a very aggressive environment are critically required for the design and development of advanced ultrasupercritical (AUSC) boilers and steam turbines. Finely dispersed Laves phase precipitates have been shown by Takeyama and co-workers to be a viable strengthening mechanism in high temperature austenitic steels. There is currently no straightforward theory that can predict what other intermetallic phases can serve as potent precipitation-strengthening phases for steels; thus we employed a highly effective dual-anneal diffusion multiple (DADM) approach to screen for viable strengthening precipitates over a wide range of compositions. From the Fe-Co-Cr-Ni-Mo DADMs, the Fe-Cr-Mo based Chi phase was identified as a new strengthening phase for high temperature ferritic steels; and from the Fe-Mn-Cr-Nb-Ni-Mo-FeAl DADMs, the Laves phase was identified as a viable strengthening precipitate in Fe-Mn and Fe-Ni based austenitic steels. After identification of viable strengthening phases from the DADMs that covered compositions in the basic ternary and quaternary systems, we employed computation thermodynamics to perform multicomponent alloy design and optimization. For the new the Chi-phase strengthened steels, we performed thermodynamic calculations to vary the volume fraction of the Chi phase and introduced Nb and carbon to promote the formation of stable carbides for grain size control during solution heat treatment. For the Fe-Ni-Mn based austenitic steels, we performed extensive parametric optimization of compositions in order to reduce the expensive Ni content, add Cr and Al for oxidation resistance, and balance the alloying contents (Ni, Mn, Cr, Al, Mo) to suppress the ferritic phase and promote the austenitic matrix phase. Four steels (two ferritic + two austenitic) were designed and tested. The two Chi-phase strengthened ferritic steels exhibited excellent oxidation resistance and good creep-rupture strength at moderate temperatures, considering their ferritic matrix that usually results in lower creep resistance than austenitic steels. These steels showed brittleness and sample-to-sample variability in ductility. The low ductility might be due to the macro segregation during solidification or the significant grain growth during the solution heat treatments. We believe there is no inherent brittleness based on the chemistry of the steels. The creep-rupture performance of the steels is comparable to the 9Cr steels. Due to their ferritic matrix, the new Chi-phase strengthened ferritic steels may not be suited for the 760 °C AUSC applications, but they are very good candidates for intermediate temperature applications due to their outstanding oxidation resistance and high strength. Further study is required to find the source of low and highly variable ductility. We believe the compositions of the Chi-phase strengthened steels are not inherently brittle. The Chi-phase strengthened ferritic steels may also be excellent candidates for intermediate-temperature and room-temperature cast stainless steels, thus we highly recommend further investigations. The two Mn-containing austenitic steels based on the Laves phase showed good ductility, excellent oxidation resistance (slightly inferior to the two ferritic steels) at high temperatures and moderate creep strength. The creep-strength of the two austenitic steels based on the Larson-Miller parameters is higher than that of the traditional 316 stainless steels, but lower than the alumina-forming alloys (AFAs) developed at Oak Ridge National Laboratories. We do not recommend high priority in further studying these compositions unless higher Cr alloys are required for hot-corrosion resistance.

01 COAL, LIGNITE, AND PEAT↗

NASA NTRS2013

Integration of Mirror Design with Suspension System using NASA's New Mirror Modeling Software

Advances in mirror fabrication is making very large space based telescopes possible. In the many applications, only monolithic mirrors meet the performance requirements. The existing and near-term planned heavy launch vehicles place a premium on lowest possible mass. Again, available and planned payload shroud size limits near term designs to 4 meter class mirror. Practical 8 meter and beyond designs could encourage planners to include larger shrouds if it can be proven that such mirrors can be manufactured. These two factors lower mass and larger mirrors, presents the classic optimization problem. There is a practical upper limit to how large a mirror can be supported by a purely kinematic mount system and be launched. This paper shows how the design of the suspension system and mirror blank needs to be designed simultaneously. We will also explore the concepts of auxiliary support systems, which act only during launch and disengage on orbit. We will define required characteristics of these systems and show how they can substantially reduce the mirror mass. The AMTD project is developing and maturing the processes for future replacements for HUBBLE, creating the design tools, validating the methods and techniques necessary to manufacture, test and launch extremely large optical missions. This paper will use the AMTD 4 meter "design point" as an illustration of the typical use of the modeler in generating the multiple models of mirror and suspension systems used during the conceptual design phase of most projects. The influence of Hexapod geometry, mirror depth, cell size and construction techniques (Exelsis Deep Core Low Temperature Fusion (c) versus Corning Frit Bonded (c) versus Schott Pocket Milled Zerodur (c) in this particular study) are being evaluated. Due to space and time consideration we will only be able to present snippets of the study in this paper. The advances in manufacturing techniques for lightweight mirrors, such as EXELSIS deep core low temperature fusion, Corning's continued improvements in the Frit bonding process and the ability to cast large complex designs, combined with water-jet and conventional diamond.

Arnold, William↗

DOE OSTI2022

Efficient and mechanically-robust organic solar cells based on vertical stratification modulation through sequential blade-coating

Mechanically durable organic solar cells (OSCs) with high efficiency are deemed as the ideal candidate for the power source of the next generation wearable electronic devices. However, the brittle nature of small molecules in most high-efficiency OSCs consisting of polymer and small molecule encourages easy formation of cracks in the photoactive film under deformation. Here, the vertical composition distribution of the active layer has been well optimized through sequential blade coating to realize highly deformable while efficient OSC. The optimized morphology exhibits distinct donor-rich and homogenous region distributed along the vertical direction in the bulk. The donor-rich region provides sufficient chain entanglements and strong interfaces beneficial for mechanical robustness of film, while homogeneously mixed region offers continuous interpenetrating network to maintain high device through-put, resulting in superior efficiency of 14.4% with high crack-onset strain (COS) of 30.5%. This efficiency versus COS combination is much higher than the best combination reported in all polymer systems (COS of 15.9% and efficiency of 11.1%). To the best of our knowledge, it is the highest COS value achieved in polymer-small molecule systems. As a result, the rational control over vertical stratification demonstrated here would guide researchers in the development of innovative wearable electronics.

36 MATERIALS SCIENCE↗

DOE OSTI2016

SU-F-T-164: Investigation of PRESAGE Formulation On Signal Quenching in a Proton Beam

Purpose: The radiochromic polyurethane PRESAGE by Heuris Pharma has had limited applications with protons because of a dose response dependence on LET resulting in signal quenching in the Bragg peak. This is due to the radical initiator, a halocarbon, radically recombining in high-LET irradiations. This study investigated the use of alternative halocarbons at various chemical concentrations to determine their significance in signal quenching. Methods: PRESAGE was manufactured in-house and cast in small volume cuvettes (1×1×4cm^3). Several compositions were evaluated to determine the influence of the radical initiator component. Mixtures contained one of two halocarbons, chloroform or bromoform, at concentrations of 5%/10%/15%(w/w). A large volume, cylindrical PRESAGE dosimeter made following the mixture described by Heuris Pharma, 4cm(D)×8.5cm(H), was irradiated with 200-MeV protons to study regions of low- and high-LET along a 10cm spread out Bragg peak isodose profile. Depths corresponding to regions of low quenching (<3%) and high quenching (>20%) were determined. These depths were used for cuvette placement in a solid water phantom. Samples of each formulation were placed at each depth and irradiated to doses between 0 and 10Gy. Results: The cuvettes indicated different levels of quenching for different radical initiator types, concentrations, and total doses. Chloroform formulations showed reduced quenching from 29%(5%-w/w) to 21%(15%-w/w) while bromoform reduced quenching from 27%(5%-w/w) to 17%(15%-w/w). The reduction in quenching was found to be non-linear with concentration of radical initiator. A quenching dose-dependency was also found that changed with formulation. In all cases, quenching was relatively consistent from 0–5Gy but increased at 10Gy. The quenching decreased as concentrations of radical initiator increased. Conclusion: The radical initiator component in PRESAGE is correlated with the signal quenching observed in proton irradiations and formulation adjustments show promise as a method of reducing this quenching. Future work will further investigate concentration limits and optimize the formulation. Grant number 5RO1CA100835.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Volumetric Additive Manufacturing of Dormant Catalytic Chemistries to Generate Silicone Micro‐ and Millifluidic Devices and Instant Molds

Tomographic volumetric additive manufacturing (T‐VAM) rapidly prints solid objects within minutes, accessing photochemistries that are traditionally challenging for layer‐based additive manufacturing methods. This includes high‐viscosity materials, air‐free chemistries, and solid‐state systems. Catalytic chemistries are appealing as a pathway to engineering advanced materials, including tough thermosets, silicone elastomers, and complex block copolymers. However, photoactivated dormant catalytic chemistries, where the catalyst irreversibly activates upon exposure to light, are incompatible with typical tomographic VAM approaches. To address this limitation, a zero‐dose optimization strategy is devised to preserve dormant catalysts in desired regions by keeping them unexposed to light. VAM printed micro‐ and millifluidic devices and instant molds are successfully produced within minutes in silicones polymerized using photoactivated dormant platinum photohydrosilylation catalysts. The printed channels are programmed to be 500 and 2500 µm for the micro‐ and millifluidic devices, and print fidelity is assessed by X‐ray computed tomography. This work demonstrates the potential of zero‐dose optimization to expand the range of chemistries accessible for VAM, enabling the rapid fabrication of complex devices.

Additive Manufacturing↗

DOE OSTI2017

Physics and the choice of regulators in functional renormalisation group flows

The Renormalisation Group is a versatile tool for the study of many systems where scale-dependent behaviour is important. Its functional formulation can be cast into the form of an exact flow equation for the scale-dependent effective action in the presence of an infrared regularisation. The functional RG flow for the scale-dependent effective action depends explicitly on the choice of regulator, while the physics does not. In this work, we systematically investigate three key aspects of how the regulator choice affects RG flows: (i) We study flow trajectories along closed loops in the space of action functionals varying both, the regulator scale and shape function. Such a flow does not vanish in the presence of truncations. Based on a definition of the length of an RG trajectory, we suggest a constructive procedure for devising optimised regularisation schemes within a truncation. (ii) In systems with various field variables, a choice of relative cutoff scales is required. At the example of relativistic bosonic two-field models, we study the impact of this choice as well as its truncation dependence. We show that a crossover between different universality classes can be induced and conclude that the relative cutoff scale has to be chosen carefully for a reliable description of a physical system. (iii) Non-relativistic continuum models of coupled fermionic and bosonic fields exhibit also dependencies on relative cutoff scales and regulator shapes. At the example of the Fermi polaron problem in three spatial dimensions, we illustrate such dependencies and show how they can be interpreted in physical terms. - Highlights: • We show the regulator dependence of functional renormalisation (FRG) group equations. • Solving FRG equations along closed loops provides a distance between two regulators. • We suggest a practical procedure for devising optimal regulators. • A universality class crossover can be induced by changing relative cutoff scales. • We examine the regulator dependence explicitly in the Fermi polaron problem.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗