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DOE OSTI2026

Prototype Development, Testing, and Modeling for a Solar Light-Trapping Planar-Cavity Particle Receiver (LTPCR)

Many applications for concentrating solar thermal power (CSP) technologies of high efficiency power cycles or thermochemical processes require higher operating temperatures and alternative heat transfer media. Inert solid particles for next-generation CSP and reactive gas and/or solid media for solar thermochemical processes are common options; however, these have significantly lower heat transfer capabilities than thermal oil, molten salt, or molten metal media. Conventional solar receivers operating temperatures >700 degrees Celsius face challenges including thermal performance and thermal-mechanical issues. To overcome these limitations, we have developed a novel light-trapping, planar-cavity receiver (LTPCR) that can heat solid-phase media within an enclosed receiver while maintaining a high aperture solar flux concentration for high efficiency. This paper presents progress on design, fabrication, and testing of a 100 kWt prototype receiver to demonstrate the LTPCR operability and its commercial feasibility.

14 SOLAR ENERGY↗

DOE OSTI2015

Chemical composition, microstructure, and hygroscopic properties of aerosol particles at the Zotino Tall Tower Observatory (ZOTTO), Siberia, during a summer campaign

In this study we describe the hygroscopic properties of accumulation- and coarse-mode aerosol particles sampled at the Zotino Tall Tower Observatory (ZOTTO) in Central Siberia (61° N; 89° E) from 16 to 21 June 2013. The hygroscopic growth measurements were supplemented with chemical analyses of the samples, including inorganic ions and organic/elemental carbon. In addition, the microstructure and chemical composition of aerosol particles were analyzed by X-ray micro-spectroscopy (STXM-NEXAFS) and transmission electron microscopy (TEM). A mass closure analysis indicates that organic carbon accounted for 61 and 38% of PM in the accumulation mode and coarse mode, respectively. The water soluble fraction of organic matter was estimated to be 52 and 8% of PM in these modes. Sulfate, predominantly in the form of ammoniated sulfate, was the dominant inorganic component in both size modes: ~ 34% in the accumulation vs. ~ 47% in the coarse mode. The hygroscopic growth measurements were conducted with a filter-based differential hygroscopicity analyzer (FDHA) over the range of 5–99.4% RH in the hydration and dehydration operation modes. The FDHA study indicates that both accumulation and coarse modes exhibit pronounced water uptake approximately at the same RH, starting at ~ 70%, while efflorescence occurred at different humidities, i.e., at ~ 35% RH for submicron particles vs. ~ 50% RH for supermicron particles. This ~ 15% RH difference was attributed to higher content of organic material in the submicron particles, which suppresses water release in the dehydration experiments. The kappa mass interaction model (KIM) was applied to characterize and parameterize non-ideal solution behavior and concentration-dependent water uptake by atmospheric aerosol samples in the 5–99.4% RH range. Based on KIM, the volume-based hygroscopicity parameter, κ v , was calculated. The κ v, ws value related to the water soluble (ws) fraction was estimated to be ~ 0.15 for the accumulation mode and ~ 0.36 for the coarse mode, respectively. The obtained κ v, ws for the accumulation mode is in good agreement with earlier data reported for remote sites in the Amazon rain forest (κ v ≈ 0.15) and a Colorado boreal forest (κ v ≈ 0.16). We used the Zdanovskii–Stokes–Robinson (ZSR) mixing rule to predict the chemical composition dependent hygroscopicity, κ v, p . The obtained κ v, p values overestimate the experimental FDHA-KIM-derived κ v, ws by factors of 1.8 and 1.5 for the accumulation and coarse modes, respectively. This divergence can be partly explained by incomplete dissolution of the hygroscopic inorganic compounds resulting from kinetic limitations due to a sparingly soluble organic coating. The TEM and STXM-NEXAFS results indicate that aged submicron (>300 nm) and supermicron aerosol particles possess core-shell structures with an inorganic core, and are enriched in organic carbon at the mixed particle surface. The direct FDHA kinetic studies provide a bulk diffusion coefficient of water of ~ 10 −12 cm 2 s −1 indicating a semi-solid state of the organic-rich phase leading to kinetic limitations of water uptake and release during hydration and dehydration cycles. Overall the present ZOTTO data set, obtained in the growing season, has revealed a strong influence of organic carbon on the hygroscopic properties of the ambient aerosols. The sparingly soluble organic coating controls hygroscopic growth, phase transitions, and microstructural rearrangement processes. The observed kinetic limitations can strongly influence the outcome of experiments performed on multi-second time scales, such as the commonly applied HTDMA (Hygroscopicity Tandem Differential Mobility Analyzer) and CCNC (Cloud Condensation Nuclei Counter) measurements.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Prototype Development, Testing, and Modeling for a Solar Light-Trapping Planar-Cavity Particle Receiver

14 SOLAR ENERGY↗

DOE OSTI2021

Separations Consortium: Counter Current Chromatography

In support of the Bioenergy Technologies Office in recovering coproducts in biorefineries this project evaluates the use of Counter Current Chromatography (CCC) in recovering co-products from Reductive Catalytic Fractionation (RCF) oil, Alkaline Pretreatment Liquor (APL), aqueous phase Hydrothermal Liquefaction (HTL) oil, and Catalytic Fast Pyrolysis (CFP) oil. The project addresses three technology barriers in developing the bioeconomy; (1) Cost of production (2) Selective separation of organic acid species, and (3) Advanced bioprocess development. CCC is a unique, scalable, chromatographic technology that operates with two immiscible liquid phases moving counter current to one another. Unlike Simulated Moving Bed (SMB) technology, CCC is a true moving bed and because it uses liquids as both the stationary and mobile phase it can handle solids directly in the feed. This aspect of CCC allows it to skip the expensive filtration step needed prior to traditional SMB, furthermore the liquid phases are composed on relatively inexpensive organics (e.g. hexane and ethyl acetate). This project develops CCC methods for direct isolation of co-products from RCF oil, APL, HTL aqueous, and CFP oil. TechnoEconomic Analysis and process modeling is presented to compare CCC to SMB and assess its applicability in a holistic biorefinery. Initial results indicate approximately 4x reductions in solvent demand and 2x reduction in energy consumption compared to SMB.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2019

Lattice Boltzmann modelling of the coupling between charge transport and electrochemical reactions in a solid oxide fuel cell with a patterned anode

A fundamental understanding of the electrochemical reactions and the associated transport processes in electrodes of solid oxide fuel cells (SOFCs) is critical to the development of new electrode materials. To date, however, our understanding of the electrode processes is still very limited due to the lack of well-designed experiments and carefully-validated predictive models. To facilitate studies in this area, we have developed a numerical model that has taken into consideration of the coupling between the transport of mobile charged species (e.g., ions and electrons) in conducting phases and the electrochemical reactions at the three phase boundaries of an SOFC anode. The validity of this model has been confirmed by the electrochemical performance of test cells with a patterned anode consisting of well-defined electronic and ionic conducting phases. The model is then applied to quantifying the factors that critically influence the performance of a patterned anode, resulting in three key dimensionless parameters governing the coupling of transport and reactions in the anode: the ratio of electronic-to-ionic conductivity (σ el /σ ion ), the dimensionless exchange current density (i ex /i 0 ), and the dimensionless electric potential (Fφ 0 /RT). In particular, it is found that only i ex /i 0 and Fφ 0 /RT play a significant role under typical SOFC operating conditions: anode performance increases with the increase in i ex /i 0 and Fφ 0 /RT. Accordingly, we have constructed a phase map to demonstrate the combined effect of i ex /i 0 and Fφ 0 /RT, which is helpful for rational design and operation of SOFC patterned electrodes of different materials and geometries. More importantly, our present model is also applicable to the study of actual porous SOFC electrodes with known 3D microstructures.

08 HYDROGEN↗

DOE OSTI2015

Plasma column and nano-powder generation from solid titanium by localized microwaves in air

This paper studies the effect of a plasma column ejected from solid titanium by localized microwaves in an ambient air atmosphere. Nanoparticles of titanium dioxide (titania) are found to be directly synthesized in this plasma column maintained by the microwave energy in the cavity. The process is initiated by a hotspot induced by localized microwaves, which melts the titanium substrate locally. The molten hotspot emits ionized titanium vapors continuously into the stable plasma column, which may last for more than a minute duration. The characterization of the dusty plasma obtained is performed in-situ by small-angle X-ray scattering (SAXS), optical spectroscopy, and microwave reflection analyses. The deposited titania nanoparticles are structurally and morphologically analyzed by ex-situ optical and scanning-electron microscope observations, and also by X-ray diffraction. Using the Boltzmann plot method combined with the SAXS results, the electron temperature and density in the dusty plasma are estimated as ∼0.4 eV and ∼10{sup 19 }m{sup −3}, respectively. The analysis of the plasma product reveals nanoparticles of titania in crystalline phases of anatase, brookite, and rutile. These are spatially arranged in various spherical, cubic, lamellar, and network forms. Several applications are considered for this process of titania nano-powder production.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Growth mechanism and magnetic and electrochemical properties of Na{sub 0.44}MnO{sub 2} nanorods as cathode material for Na-ion batteries

Nanorods of Na{sub 0.44}MnO{sub 2} are a promising cathode material for Na-ion batteries due to their large surface area and single crystalline structure. We report the growth mechanism of Na{sub 0.44}MnO{sub 2} nanorods via solid state synthesis and their physical properties. The structure and the morphology of the Na{sub 0.44}MnO{sub 2} nanorods are investigated by X-ray diffraction (XRD), scanning and tunneling electron microscopy (SEM and TEM), and energy-dispersive X-ray (EDX) techniques. The growth mechanism of the rods is investigated and the effects of vapor pressure and partial melting of Na-rich regions are discussed. The magnetic measurements show an antiferromagnetic phase transition at 25 K and the μ{sub eff} is determined as 3.41 and 3.24 μ{sub B} from the χ–T curve and theoretical calculation, respectively. The electronic configuration and spin state of Mn{sup 3+} and Mn{sup 4+} are discussed in detail. The electrochemical properties of the cell fabricated using the nanorods are investigated and the peaks in the voltammogram are attributed to the diffusion of Na ions from different sites. Na intercalation process is explained by one and two Margules and van Laar models. - Highlights: • We synthesized Na{sub 0.44}MnO{sub 2} nanorods via a simple solid state reaction technique. • Our studies show that excess Na plays a crucial role in the nanorod formation. • Magnetization measurements show that Mn{sup 3+} ions are in LS and HS states. • The electrochemical properties of the cell fabricated using the nanorods are investigated. • Na intercalation process is explained by one and two Margules and van Laar models.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2015

Atomic transport during solid-phase epitaxial recrystallization of amorphous germanium

The atomic mixing of matrix atoms during solid-phase epitaxy (SPE) is studied by means of isotopically enriched germanium (Ge) multilayer structures that were amorphized by Ge ion implantation up to a depth of 1.5 μm. Recrystallization of the amorphous structure is performed at temperatures between 350 °C and 450 °C. Secondary-ion-mass-spectrometry is used to determine the concentration-depth profiles of the Ge isotope before and after SPE. An upper limit of 0.5 nm is deduced for the displacement length of the Ge matrix atoms by the SPE process. This small displacement length is consistent with theoretical models and atomistic simulations of SPE, indicating that the SPE mechanism consists of bond-switching with nearest-neighbours across the amorphous-crystalline (a/c) interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2021

Importance of multimodal characterization and influence of residual Li 2 S impurity in amorphous Li 3 PS 4 inorganic electrolytes

Amorphous Li 3 PS 4 (LPS) solid-state electrolytes are promising for energy-dense lithium metal batteries. LPS glass, synthesized from a 3:1 mol ratio of Li 2 S and P 2 S 5 , has high ionic conductivity and can be synthesized by ball milling or solution processing. Ball milling has been attractive because it provides the easiest route to access amorphous LPS with a conductivity of 3.5 × 10 –4 S cm –1 (20 °C). However, achieving the complete reaction of precursors via ball milling can be difficult, and most literature reports use X-ray diffraction (XRD) or Raman spectroscopy to confirm sample purity, both of which have limitations. Furthermore, the effect of residual precursors on ionic conductivity and lithium metal cycling is unknown. In this work, we illustrate the importance of multimodal characterization to determine LPS phase and chemical purity. To determine the residual Li 2 S content in LPS, we show that (1) XRD and 31 P solid state nuclear magnetic resonance (ssNMR) are insufficient and (2) Raman loses sensitivity at concentrations below 12 mol% Li 2 S. Most importantly, we show that 7 Li ssNMR is highly sensitive. Using 7 Li ssNMR, we investigate the effect of ball milling parameters and develop a robust and highly reproducible procedure for pure LPS synthesis. We find that as the residual Li 2 S precursor content increases, LPS conductivity decreases and lithium metal batteries exhibit higher overpotentials and poor cycle life. Furthermore, our work reveals the importance of multimodal characterization techniques for amorphous solid-state electrolyte characterization and will enable better synthetic strategies for highly conductive electrolytes for efficient energy-dense solid-state lithium metal batteries.

25 ENERGY STORAGE↗

DOE OSTI2020

BWR Spent Nuclear Fuel Acquisition and Testing to Support DOE-NE High Burnup Spent Fuel Data Project

The Office of Spent Fuel and Waste Disposition (SFWD) within the US Department of Energy (DOE) Office of Nuclear Energy (NE) established the Spent Fuel and Waste Science and Technology (SFWST) campaign to conduct research and development (R&D) activities related to the storage, transportation, and disposal of spent nuclear fuel (SNF) and high-level radioactive waste. The SFWST program was created within SFWD to address issues of extended or long-term SNF storage and transportation. Some near-term objectives of SFWST are to use a science-based, engineering-driven approach to: Support the enhancement of the technical bases to support the continued safe and secure dry storage of SNF for extended periods; Support the enhancement of the technical bases for retrieving SNF after extended dry storage; Support the enhancement of the technical bases for transporting high burnup (HBU) fuel and transporting low burnup fuel and HBU fuel after dry storage DOE-NE, in partnership with the Electric Power Research Institute, developed the High Burnup Spent Fuel Data Project to perform a large-scale demonstration and laboratory-scale testing of HBU pressurized water reactor (PWR) fuels (exceeding 45 gigawatt-days per metric ton of uranium [GWd/MTU]). Under this project, 25 sister rods—which are rods that have the same design, power histories, and other characteristics—were removed from assemblies at the North Anna Nuclear Power Station and sent to Oak Ridge National Laboratory (ORNL) in January 2016. ORNL performed detailed nondestructive examination (NDE) on all 25 rods. The NDE consisted of visual examinations, gamma and neutron scanning, profilometry and rod length measurements, and eddy current examinations. After completing the NDE, 10 of the sister rods were delivered to Pacific Northwest National Laboratory (PNNL) in a NAC International, Inc. legal-weight truck cask in September 2018 for destructive examination (DE). To date, SFWD work has focused on the PWR fuel that is part of the Sister Rod Test program. No boiling water reactor (BWR) fuel has been tested in the program, and the data needs that were identified for the PWR fuel have not been collected for BWR fuel. The goal to obtain six to nine BWR rods and test them at ORNL will support closing this important data gap. BWR fuel comprises approximately 56% of the total fuel assemblies currently in storage at nuclear power plants in the United States. BWR nuclear fuel and cladding designs and manufacturing are significantly different from PWRs. Differences include the following: BWR fuel pellets are larger than PWR pellets; Variations of Zircaloy-2 (including liners) are used instead of the Zircaloy-4 cladding materials used in PWRs; Clad manufacturing and stress-relief processes are different between PWRs and BWRs; The fuel rod dimensions are different because larger rod diameters and thicker cladding are used in BWRs; BWR fuel typically has lower internal rod pressures and sees vastly different operating conditions than PWR fuel (i.e., two-phase flow); BWR assemblies are “canned,” meaning each assembly is surrounded by a metal fuel channel; BWR cladding is often composed of an inner pure Zr liner that has widely different mechanical properties than the Zircaloy-2 alloy and exhibits a stronger affinity for hydrogen; The BWR SNF generally has more total hydrogen in the cladding/liner than typical PWR fuel; The construction of the PWR and BWR assemblies is vastly different; BWR rods are solidly attached to the assembly nozzles and experience a much different vibration and shock load than PWR rods, which are “floating” within a grid system attached to guide tubes, and the rods sit loosely on the bottom end plates. These numerous differences will affect the way the BWR SNF responds under dry storage preparation processes (e.g., vacuum drying) and during transportation. The results collected in the PWR experimental program must be compared with a subset of similar data collected on BWR SNF to establish a technical basis for whether the larger PWR database is sufficient to bound the BWR SNF end-of-life conditions as is currently assumed for several fuel/clad properties. Changes that occur in both fuel types at HBU could exacerbate any mechanical property differences. As the fuel burnup increases, several changes occur that might affect the performance of the fuel, cladding, and assembly hardware in storage and transportation. These changes include increased cladding corrosion layer thickness, increased cladding hydrogen content, increased cladding creep strains, increased fission gas release, and the formation of the HBU structure at the surface of the fuel pellets. The Nuclear Regulatory Commission (NRC) limits the current maximum rod-averaged burnup to 62 GWd/MTU due to these changes and the lack of data at higher burnups.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation

High-throughput computational materials discovery has promised significant acceleration of the design and discovery of new materials for many years. Despite a surge in interest and activity, the constraints imposed by large-scale computational resources present a significant bottleneck. Furthermore, examples of large-scale computational discovery carried through experimental validation remain scarce, especially for materials with product applicability. In this paper, we demonstrate how this vision became reality by first combining state-of-the-art artificial intelligence (AI) models and traditional physics-based models on cloud high performance computing (HPC) resources to quickly navigate through more than 32 million candidates and predict around half a million potentially stable materials. Focusing on solid-state electrolytes for battery applications, our discovery pipeline further identified 18 promising candidates with new compositions and rediscovered a decade’s worth of collective knowledge in the field as a byproduct. By employing around one thousand virtual machines in the cloud, this process took less than 80 hours. We then synthesized and experimentally characterized the structures and conductivities of our top candidates, the Na x Li 3-x YCl 6 (0.5 ≤ x ≤ 2.5) series, demonstrating the potential of these compounds to serve as solid electrolytes. Additional candidate materials are currently under experimental investigation that could offer more examples of the computational discovery of new phases of Li- and Na-conducting solid electrolytes. We believe this unprecedented approach of synergistically integrating AI models and cloud HPC not only accelerates materials discovery but also showcases the potency of AI-guided experimentation in unlocking transformative scientific breakthroughs with real-world applications.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Electric Field’s Dueling Effects through Dehydration and Ion Separation in Driving NaCl Nucleation at Charged Nanoconfined Interfaces

Investigating nucleation in charged nanoconfined environments under electric fields is crucial for many scientific and engineering applications. Here we study the nucleation of NaCl from aqueous solution near charged surfaces using machine-learning-augmented enhanced sampling molecular dynamics simulations. Our simulations successfully drive phase transitions between the liquid and solid phases of NaCl. The solid phase is stabilized under electric fields, particularly at an intermediate surface charge density. We examine which physical characteristics drive the nucleation of NaCl from aqueous solutions and find that the removal of solvent water from Cl– at the solid precursor surface plays a more critical role than the accumulation of ions. Our simulations reveal the competing effects of electric fields on nucleation processes: they facilitate the removal of water, promoting nucleation, but also promote the separation of ion pairs, thereby hindering nucleation. Here, this work provides a framework for studying nucleation processes in nanoconfined environments under electric fields and provides physical insights for the design of electrochemistry materials.

Electric fields↗

DOE OSTI2014

TOF SIMS analysis and generation of white photoluminescence from strontium silicate codoped with europium and terbium

White light emitting terbium (Tb{sup 3+}) and europium (Eu{sup 3+}) codoped strontium silicate (Sr{sub 2}SiO{sub 4}) phosphors were prepared by a solid state reaction process. The structure, particle morphology, chemical composition, ion distribution, photoluminescence (PL), and decay characteristics of the phosphors were analyzed by x-ray diffraction (XRD), scanning electron microscopy (SEM), time-of-flight secondary ion mass spectrometry (TOF-SIMS), and PL spectroscopy, respectively. The XRD data showed that our Sr{sub 2}SiO{sub 4} composed of two phases, namely, β-Sr{sub 2}SiO{sub 4} and α′-Sr{sub 2}SiO{sub 4}, and the α′-Sr{sub 2}SiO{sub 4} phase was more prominent than the β-Sr{sub 2}SiO{sub 4} phase. The SEM micrographs showed that the particles were agglomerated together and they did not have definite shapes. All ions (i.e., negative and positive) present in our materials were identified by TOF-SIMS. In addition, the chemical imaging performed with the TOF-SIMS demonstrated how the individual ions including the dopants (Eu{sup 3+} and Tb{sup 3+}) were distributed in the host lattice. White photoluminescence was observed when the Sr{sub 2}SiO{sub 4}:Tb{sup 3+}, Eu{sup 3+} phosphor was excited at 239 nm using a monochromatized xenon lamp as the excitation source. The phosphor exhibited fast decay lifetimes implying that it is not a good candidate for long afterglow applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Microstructural evaluation of the creep behavior in L-PBF Ni-based superalloys

This presentation at ICAM 2024 Conference focuses on the commonalities and differences in the creep rupture behavior and creep mechanisms for three distinct classes of laser powder-bed fusion (L-PBF) Ni-based superalloys (γ’-precipitate strengthened Haynes® 282®, γ’/γ”/δ-precipitate strengthened Alloy 718, and solid-solution strengthened Alloy 625) as compared to conventionally processed counterparts. A comparison of Larson-Miller parameter plots establishes that these alloys perform statistically within the bounds established for the wrought product, despite having dissimilar microstructural features and other artefacts associated with PBF-LB manufacturing and post-processing heat treatment. To understand the failure and the impact of composition, minor phases, and deformation defects on creep behavior, the fractography has been performed and microstructures have been evaluated in detail with SEM-EDS, EBSD, and HAADF-STEM. The underlying diffusional and dislocation creep mechanisms associated with this microstructural evaluation is discussed. This work is supported by NETL-FWP-1022408 Advanced Turbines.

Sudbrack, Chantal↗

DOE OSTI2019

Measurements of Hydrogen Generation Rates using a Sealed Reactor System - 19428

Sealed reactor tests were performed to measure the hydrogen generation rate (HGR) from stored radioactive waste at the Savannah River Site. HGR may be very low, on the order of 7.5 x 10{sup -13} (m{sup 3}/h)/L [that is, cubic meters of H{sub 2} generated per hour per liter of radioactive liquid waste, or 10{sup -10} (ft{sup 3}/h)/gal]. Because the estimated HGR limit of detection for an open, continuous flow, system is approximately 7.5 x 10{sup -10} (m{sup 3}/h)/L [or 10{sup -7} (ft{sup 3}/h)/gal], a more sensitive method was needed. By accumulating generated gasses in a sealed system without a continuous purge gas, the resulting concentrations can increase the sensitivity of measurement, which is based on time of heating. In 2017, Savannah River Remediation declared a Potential Inadequacy in the Safety Analysis related to the potential thermal decomposition of organics that generate hydrogen in each of three Liquid Waste facilities: Concentration, Storage and Transfer Facility, Saltstone Production Facility, and the Defense Waste Processing Facility. The research for this study concerns low activity waste of Tank 50, which feeds the Saltstone Production Facility. This study evaluated the impact of organics including formate on the generation of H{sub 2}. Samples of SRS Tank 50 waste, which is a nominal 5 molar sodium salt solution, were sealed in stainless steel reactors and held at varying temperatures, e.g., 50 deg. C, 75 deg. C, 100 deg. C, and 120 deg. C, to determine if organic compounds are decomposing into H2. The experiments included trace solids used to stabilize waste in grout, e.g., grout-premix and Blast Furnace Slag, to determine if any solid phase reactions are present, which would accelerate or inhibit the generation of H{sub 2} at these temperatures. This paper describes the sealed reactors designed and constructed at Savannah River National Laboratory and the radioactive tests that were performed to measure HGR in both oxic and anoxic atmospheres. The shakedown tests showed the sealed reactors to be leak tight and hydrogen concentrations from calibrated standards could be accurately measured. Previous simulant tests helped to perfect the test methods and better design the radioactive tests. The radioactive results showed that the rate of hydrogen generated from Tank 50 waste, over a range of temperatures from 30 deg. C up to 120 deg. C, is bounded by an empirical relation (Hu Equation) that can be used to approximate HGRs in Tank 50 radioactive waste. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Efficient blue light-emitting diodes based on quantum-confined bromide perovskite nanostructures

The emergence of inorganic–organic hybrid perovskites, a unique class of solution-processable crystalline semiconductors, provides new opportunities for large-area, low-cost and colour-saturated light-emitting diodes (LEDs) ideal for display and solid-state lighting applications1. However, the performance of blue perovskite LEDs (PeLEDs) is far inferior to that of their near-infrared, red and green counterparts, strongly limiting the practicality of the PeLED technology. Here, we demonstrate blue PeLEDs emitting at 483 nm with colour coordinates of (0.094, 0.184) and operating with a peak external quantum efficiency of up to 9.5% at a luminance of 54 cd m –2 . The devices have a T50 lifetime of 250 s for an initial brightness of 100 cd m –2 . The efficient blue electroluminescence originates from a structure of quantum-confined perovskite nanoparticles embedded within quasi-two-dimensional phases with higher bandgaps, prepared by an antisolvent processing scheme. Our work paves the way towards high-performance PeLEDs in the blue region.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Cellulose molecular weight of corn stover with cotreatment

Here we present a dataset of cellulose molecular weights from corn stover after a cotreatment process. The corn stover sample was subjected to a combination of mechanical disruption (ball milling) and consolidated bioprocessing (CBP) process using the bacterium C. thermocellum at 60 grams/L solids loadings. Cellulose was isolated from control, no cotreatment control, and cotreatment corn stover. Cellulose was then derivatized using anhydrous pyridine and phenyl isocyanate over 48 h at 70 ºC. The reaction was quenched by anhydrous methanol. Methanol and water mixture (7:3, v/v) was added dropwise to promote precipitation of the cellulose derivative. The solids were collected by filtration and thoroughly washed with the methanol and water mixture followed by water. The cellulose derivative was dried overnight under vacuum at 40°C. The obtained cellulose tricarbanilates was then dissolved in tetrahydrofuran (THF) at 1.0 mg/mL and the solution was filtered through a 0.45 µm PTFE filter and placed in an auto-sampler vial. The molecular weight of cellulose was measured by Agilent GPC SECurity 1200 system equipped with four Waters Styragel columns (i.e., HR0.5, HR2, HR4, and HR6) and a UV detector (270 nm). THF was used as the mobile phase. Data collection and processing was performed by Polymer Standards Service WinGPC Unity software (Build 6807). The molecular weight was calculated relative to the polystyrene calibration curve. The data on molecular weights provided information about the effects of cotreatment on corn stover cellulose molecular changes.

Cellulose, molecular weights, corn stover, cotreat↗

DOE OSTI2017

Grain Boundary Engineering for Achieving High Thermoelectric Performance in n-Type Skutterudites

Grain or phase boundaries play a critical role in the carrier and phonon transport in bulk thermoelectric materials. Previous investigations about controlling boundaries primarily focused on the reducing grain size or forming nanoinclusions. Herein, liquid phase compaction method is first used to fabricate the Yb–filled CoSb 3 with excess Sb content, which shows the typical feature of low–angle grain boundaries with dense dislocation arrays. Seebeck coefficients show a dramatic increase via energy filtering effect through dislocation arrays with little deterioration on the carrier mobility, which significantly enhances the power factor over a broad temperature range with a high room–temperature value around 47 μW cm –2 K –1 . Simultaneously, the lattice thermal conductivity could be further suppressed via scattering phonons via dense dislocation scattering. As a result, the highest average figure of merit ZT of ≈1.08 from 300 to 850 K could be realized, comparable to the best reported result of single or triple–filled Skutterudites. Furthermore, this work clearly points out that low–angle grain boundaries fabricated by liquid phase compaction method could concurrently optimize the electrical and thermal transport properties leading to an obvious enhancement of both power factor and ZT .

36 MATERIALS SCIENCE↗