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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Final Closure of the Maxey Flats Low-Level Radioactive Waste Disposal Site - 16088

This paper describes the final closure remedy for the former Maxey Flats Low-Level Radioactive Waste Disposal Site (MFDS), the challenges presented at the site due to the condition of the disposal facility and waste, and their resolution through comprehensive geo-synthetic design. The MFDS is an inactive landfill located in Kentucky on a ridge surrounded by a buffer zone. Historically, waste disposal occurred without reducing voids or without compacting the placed waste. Settlement and water management issues led to releases of radioactive contamination into surrounding waters, resulting in the closure of the facility in 1977. The final closure remedy consists of 1) development and implementation oversight of a sump abandonment design to ensure no direct pathways for infiltrating water to contact the waste and 2) development and implementation oversight of the Final Closure Period (FCP) cap design. Challenges successfully addressed by the FCP scope included: Abandon sumps to minimize storm water migrating into the waste; Address potential existing groundwater waste interaction; Maximum use of on-site cap construction materials; Design cap to fit very restricted site footprint; Assess and address potential isolated differential settlement; Maximize passive storm water management; Provide alternative site access during construction. The FCP remedy and resultant design satisfies these challenges through use of layers of geo-grid-reinforced soil and geo-synthetic materials, contours and slopes that minimize the quantities of construction materials while maximizing the use of available material, probabilistic subsidence modeling, an integrated storm water management system ensuring the slow release of storm water into receiving streams, and a dedicated construction haul road system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2018

Focusing the Sun: State Considerations for Designing Community Solar Policy

This report summarizes outcomes from the National Community Solar Partnership State Best Practices working group by identifying key differences in state policies that enable community solar and illustrating how various policy design approaches may impact the market. For the latter question, it is too early to quantify a relationship between policy design and market impacts, because most state programs have not been fully implemented. So, the authors conducted interviews with 19 subject matter experts, including project developers, regulators, and utilities to better understand how various policy design approaches may impact community solar markets. These perspectives, along with those gleaned from the working group and relevant literature were synthesized to identify key considerations for policymakers designing community solar programs. Though state community solar policies vary in numerous ways, the report focuses on the following critical elements: program cap, project size cap, subscriber location requirements, subscriber eligibility requirements, low- and moderate-income stipulations, and subscriber compensation.

14 SOLAR ENERGY↗
DOE OSTI2015

Assessment of allowance mechanism China's carbon trading pilots

The allowance mechanism is one of the core and sensitive aspects in design of a carbon trading scheme and affects the compliance cost for each company covered under the scheme. By examining China's allowance mechanism from two aspects including allowance allocation and allowance distribution, this paper compares China's carbon trading pilots with the EU Emissions Trading System and California Cap-and-Trade Program, and through the comparison identify issues that affect the efficiency of the pilots. The paper also recommends course of actions to strengthen China's existing pilots and build valuable experiences for the establishment of the national cap-and-trade system in China.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Glass production rate in an electric melter: Melting rate correlation and primary foam stability

Waste loading and melting rate are major factors determining the lifecycle of nuclear waste disposal by vitrification in electric melters in which the heat to the cold cap is delivered from the melt pool. One of the crucial parameters that affect the rate of melting is the temperature at which the primary foam collapses at the cold cap bottom. Further, apart from the transient glass-forming melt viscosity, primary foam stability is affected by the shear stress imposed by the flow in the melt pool and the presence of residual solid particles.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Engineering Surface Architectures for Improved Durability in III–V Photocathodes

GaInP2 has shown promise as the wide bandgap top junction in tandem absorber photoelectrochemical (PEC) water splitting devices. Among previously reported dual-junction PEC devices with a GaInP 2 top cell, those with the highest performance incorporate an AlInP 2 window layer (WL) to reduce surface recombination and a thin GaInP2 capping layer (CL) to protect the WL from corrosion in electrolytes. However, the stability of these III-V systems is limited, and durability continues to be a major challenge broadly in the field of PEC water splitting. This work provides a systematic investigation into the durability of GaInP 2 systems, examining the impacts of the window layer and capping layer among single junction pn-GaInP 2 photocathodes coated with an MoS 2 catalytic and protective layer. The photocathode with both a CL and WL demonstrates the highest PEC performance and longest lifetime, producing a significant current for >125 h. In situ optical imaging and post-test characterization illustrate the progression of macroscopic degradation and chemical state. The surface architecture combining an MoS 2 catalyst, CL, and WL can be translated to dual-junction PEC devices with GaInP 2 or other III-V top junctions to enable more efficient and stable PEC systems.

08 HYDROGEN↗
DOE OSTI2014

Transport of triplet excitons along continuous 100 nm polyfluorene chains

Triplet excitons created in poly-2,7-(9,9-dihexyl)fluorene (pF) chains with end trap groups in solution are efficiently transported to and captured by the end groups. The triplets explore the entire lengths of the chains, even for ~100 nm long chains enabling determination of the completeness of end capping. The results show that the chains continuous: they may contain transient barriers or traps, such as those from fluctuations of dihedral angles, but are free of major defects that stop motion of the triplets. Quantitative determinations are aided by the addition of a strong electron donor, TMPD, which removes absorption bands of the end-trapped triplets. For chains having at least one end trap, triplet capture is quantitative on the 1 µs timescale imposed by the use of the donor. Fractions of chains having no end traps were 0.15 for pF samples with anthraquinone (AQ) end traps and 0.063 with naphthylimide (NI) end traps. These determinations agreed with measurements by NMR for short (<40 polymer repeat units (PRU)) chains, where NMR determinations are accurate. The results find no evidence for traps or barriers to transport of triplets, and places limits on the possible presence of defects as impenetrable barriers to less than one per 300 PRU. The present results present a paradigm different from the current consensus, derived from observations of singlet excitons, that conjugated chains are divided into “segments,” perhaps by some kind of defects. For the present pF chains, the segmentation either does not apply to triplet excitons or is transient so that the defects are healed or surmounted in times much shorter than 1 µs. Triplets on chains without end trap groups transfer to chains with end traps on a slower time scale. Rate constants for these bimolecular triplet transfer reactions were found to increase with the length of the accepting chain, as did rate constants for triplet transfer to the chains from small molecules like biphenyl. As a result, a second set of polyfluorenes with 2-butyloctyl side chains was found to have a much lower completeness of end capping.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Supply Chain Sustainability Analysis of Renewable Hydrocarbon Fuels via Indirect Liquefaction, Ex Situ Catalytic Fast Pyrolysis, Hydrothermal Liquefaction, Combined Algal Processing, and Biochemical Conversion: Update of the 2018 State-of-Technology Cases and Design Cases

This technical report describes the SCSAs for the production of renewable hydrocarbon transportation fuels via a range of conversion technologies: (1) renewable high octane gasoline (HOG) via indirect liquefaction (IDL) of woody lignocellulosic biomass (note that the IDL pathway in this SCSA represents the syngas conversion design in the 2018 SOT and 2022 design cases [Tan et al., 2018]); (2) renewable gasoline (RG) and diesel (RD) blendstocks via ex situ catalytic fast pyrolysis of woody lignocellulosic biomass; (3) RD via hydrothermal liquefaction (HTL) of wet sludge from a wastewater treatment plant; (4) renewable hydrocarbon fuels via biochemical conversion of herbaceous lignocellulosic biomass; (5) renewable diesel via HTL of a blend of algae and woody biomass; and (6) renewable diesel via combined algae processing (CAP). This technical report focuses on the environmental performance of these six biofuel production pathways in their 2018 SOT cases, as well as in their design cases (future target projections). The results of these renewable hydrocarbon fuel pathways in these SCSA analyses update those for the respective 2015 and 2016 SOT cases (Edward Frank et al. 2016; Hao Cai et al. 2016, 2017; Cai et al. 2018) in the case of IDL, algae CAP, and biochemical conversion pathways. They also provide an opportunity to examine the impact of technology improvements in both biomass feedstock production and biofuel production that have been achieved in 2018 SOTs on the sustainability performance of these renewable transportation fuels, and they reflect updates to Argonne National Laboratory's Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET[R]) model, which was released in October 2018 (Wang et al. 2018). These GREET updates include production of natural gas, electricity, and petroleum-based fuels that can influence biofuels' supply chain greenhouse gas (GHG) (CO 2 , CH 4 , and N 2 O) emissions, water consumption and air pollutant emissions. GHG emissions, water consumption, and 2 nitrogen oxides (NO x ) emissions are the main sustainability metrics assessed in this analysis. In this analysis, we define water consumption as the amount of water withdrawn from a freshwater source that is not returned (or returnable) to a freshwater source at the same level of quality. Life-cycle fossil energy consumption and net energy balance, which is the life-cycle fossil energy consumption deducted from the renewable biofuel energy produced, are also assessed.

09 BIOMASS FUELS↗
DOE OSTI2020

Conceptual Basis and Techno-Economic Modeling for Integrated Algal Biorefinery Conversion of Microalgae to Fuels and Products (2019 NREL TEA Update: Highlighting Paths to Future Cost Goals via a New Pathway for Combined Algal Processing)

The report documents the conceptual basis for a new potential Combined Algal Processing design strategy which may allow more flexibility in accommodating different algal biomass feedstock compositions, by enabling upgrading of both protein and carbohydrates in a single step, without a strict requirement for either component to be in soluble or monomeric form, while maintaining effective wet lipid extraction techniques to enable high lipid recoveries. In light of previously-established constraints around algal biomass costs (which are significantly higher than lignocellulosic terrestrial biomass), the present CAP processing strategy reflects an integrated biorefinery concept producing both fuels and value-added chemical coproducts as a means to improve profitability and generate coproduct revenues to help drive down the minimum fuel selling price (MFSP) towards economically viable levels. Namely, this report highlights an integrated CAP biorefinery process and associated technical targets that would be required to achieve U.S. Department of Energy target MFSP goals of $2.5/gallon gasoline equivalent by 2030. This is accomplished by a process involving low-cost seasonal storage of algal biomass during high-growth seasons, rapid flash hydrolysis pretreatment of the biomass, solvent extraction of pretreated biomass, cleanup and fractionation of lipids into triglyceride and free fatty acid fractions, and a series of thermochemical conversion steps to upgrade carbohydrates and protein to hydrocarbon fuels. These steps include mild oxidative treatment (MOT), a process originally investigated at NREL for upgrading lignin, followed by catalytic ketonization and hydrotreating of MOT products to fuels. Isolated triglycerides are sent to a coproduct train, with the base case focused on upgrading to polyurethane foams as a high-value, high-market-volume coproduct.

09 BIOMASS FUELS↗
DOE OSTI2016

Dynamic fault weakening and strengthening by gouge compaction and dilatancy in a fluid-saturated fault zone

Fault gouge deformation likely plays a significant role in controlling the strength of mature, large-displacement faults. Experiments show that intact gouge deforms in an overall ductile and stable manner, readily compacting, but dilates and experiences brittle failure under large strain rate. Inelastic gouge compaction and dilatancy are modeled here using a combined Mohr-Coulomb and end-cap yield criterion in a dynamic rupture model of a strike-slip fault with strongly velocity-weakening friction. We show that large shear stress concentration ahead of the rupture associated with the rupture front causes the gouge layer to compact (e.g., by structural collapse and comminution), leading to rapidly elevated pore pressure and significant weakening of the principal fault surface. Shortly after the rupture front passes, strong dilatancy during strength drop and rapid sliding reduces pore pressure and strengthens the fault, promoting slip pulses. Large strain localization in the gouge layer occurs as a result of rapid gouge dilatancy and strain softening. The combination of prerupture weakening from compaction and restrengthening from dilatancy hardening leads to a smaller-strength drop, and limits the stress concentration outside the gouge layer. Furthermore, this leads to a reduction of inelastic shear strain in the damage zone, which is more consistent with geological observations and high-speed frictional experiments. With the presence of well-developed fault gouge, the strength of mature faults may be limited by end-cap rather than Mohr-Coulomb failure; thus, their frictional strengths are significantly smaller than Byerlee friction.

58 GEOSCIENCES↗
DOE OSTI2018

Experimental Evidence of Chiral Ferrimagnetism in Amorphous GdCo Films

Inversion symmetry breaking has become a vital research area in modern magnetism with phenomena including the Rashba effect, spin Hall effect, and the Dzyaloshinskii-Moriya interaction (DMI)-a vector spin exchange. The latter one may stabilize chiral spin textures with topologically nontrivial properties, such as Skyrmions. So far, chiral spin textures have mainly been studied in helimagnets and thin ferromagnets with heavy-element capping. Here, the concept of chirality driven by interfacial DMI is generalized to complex multicomponent systems and demonstrated on the example of chiral ferrimagnetism in amorphous GdCo films. Utilizing Lorentz microscopy and X-ray magnetic circular dichroism spectroscopy, and tailoring thickness, capping, and rare-earth composition, reveal that 2 nm thick GdCo films preserve ferrimagnetism and stabilize chiral domain walls. Finally, the type of chiral domain walls depends on the rare-earth composition/saturation magnetization, enabling a possible temperature control of the intrinsic properties of ferrimagnetic domain walls.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Stable Cuprous Hydroxide Nanostructures by Organic Ligand Functionalization

Abstract Copper compounds have been extensively investigated for diverse applications. However, studies of cuprous hydroxide (CuOH) have been scarce due to structural metastability. Herein, a facile, wet‐chemistry procedure is reported for the preparation of stable CuOH nanostructures via deliberate functionalization with select organic ligands, such as acetylene and mercapto derivatives. The resulting nanostructures are found to exhibit a nanoribbon morphology consisting of small nanocrystals embedded within a largely amorphous nanosheet‐like scaffold. The acetylene derivatives are found to anchor onto the CuOH forming CuC linkages, whereas CuS interfacial bonds are formed with the mercapto ligands. Effective electronic coupling occurs at the ligand‐core interface in the former, in contrast to mostly non‐conjugated interfacial bonds in the latter, as manifested in spectroscopic measurements and confirmed in theoretical studies based on first principles calculations. Notably, the acetylene‐capped CuOH nanostructures exhibit markedly enhanced photodynamic activity in the inhibition of bacteria growth, as compared to the mercapto‐capped counterparts due to a reduced material bandgap and effective photocatalytic generation of reactive oxygen species. Results from this study demonstrate that deliberate structural engineering with select organic ligands is an effective strategy in the stabilization and functionalization of CuOH nanostructures, a critical first step in exploring their diverse applications.

Liu, Qiming↗
DOE OSTI2023

Heterologous Assembly of Pleomorphic Bacterial Microcompartment Shell Architectures Spanning the Nano- to Microscale

Many bacteria use protein-based organelles known as bacterial microcompartments (BMCs) to organize and sequester sequential enzymatic reactions. Regardless of their specialized metabolic function, all BMCs are delimited by a shell made of multiple structurally redundant, yet functionally diverse, hexameric (BMC-H), pseudohexameric/trimeric (BMC-T), or pentameric (BMC-P) shell protein paralogs. When expressed without their native cargo, shell proteins have been shown to self-assemble into 2D sheets, open-ended nanotubes, and closed shells of ≈40 nm diameter that are being developed as scaffolds and nanocontainers for applications in biotechnology. Here, by leveraging a strategy for affinity-based purification, it is demonstrated that a wide range of empty synthetic shells, many differing in end-cap structures, can be derived from a glycyl radical enzyme-associated microcompartment. The range of pleomorphic shells observed, which span ≈2 orders of magnitude in size from ≈25 nm to ≈1.8 µm, reveal the remarkable plasticity of BMC-based biomaterials. In addition, new capped nanotube and nanocone morphologies are observed that are consistent with a multicomponent geometric model in which architectural principles are shared among asymmetric carbon, viral protein, and BMC-based structures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis of Zwitterionic CsPbBr 3 Nanocrystals with Controlled Anisotropy using Surface‐Selective Ligand Pairs

Abstract Mechanistic studies of the morphology of lead halide perovskite nanocrystals (LHP‐NCs) are hampered by a lack of generalizable suitable synthetic strategies and ligand systems. Here, the synthesis of zwitterionic CsPbBr 3 NCs is presented with controlled anisotropy using a proposed “surface‐selective ligand pairs” strategy. Such a strategy provides a platform to systematically study the binding affinity of capping ligand pairs and the resulting LHP morphologies. By using zwitterionic ligands (ZwL) with varying structures, majority ZwL‐capped LHP NCs with controlled morphology are obtained, including anisotropic nanoplatelets and nanorods, for the first time. Combining experiments with density functional theory calculations, factors that govern the ligand binding on the different surface facets of LHP‐NCs are revealed, including the steric bulkiness of the ligand, the number of binding sites, and the charge distance between binding moieties. This study provides guidance for the further exploration of anisotropic LHP‐NCs.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Chemically Tunable, All-Inorganic-Based White-Light Emitting 0D-1D Heterostructures

In this study, we initially created one-dimensional (1D) Mn2+-doped ZnS (ZnS: Mn) nanowires (NWs) with a unique optical signature. Specifically, these nanostructures coupled (i) ZnS defect-related self-activated emission spanning from wavelengths of 400 nm to 500 nm with (ii) Mn2+ dopant-induced emission centered at ~580 nm. These doped ZnS nanostructures were initially fabricated for the first time via a template-based co-precipitation approach followed by a post-synthesis annealing process. We subsequently formed novel 1D - zero-dimensional (0D) heterostructures incorporating ZnS: Mn NWs and AET (2-amino-ethanethiol) - CdSe quantum dots (QDs) by assembling annealed ZnS: Mn NWs with AET- capped CdSe QDs as building blocks via a simple technique, involving physical sonication and stirring. Optical analyses of our heterostructures were consistent with charge (hole) and energy transfer-induced quenching of ZnS self-activated emission coupled with hole transfer-related quenching of Mn2+ emission by the QDs. The CdSe QD emission itself was impacted by competing charge (electron) and energy transfer processes occurring between the underlying ZnS host and the immobilized CdSe QDs. Chromaticity analysis revealed the significance of controlling both QD coverage density and Mn2+ dopant ratios in predictably influencing the observed color of our all-inorganic heterostructures. For example, white-light emitting behavior was especially prominent in composites, simultaneously characterized by (i) a 2.22% Mn2+ doping level and (ii) a molar compositional ratio of [ZnS: Mn2+]: [AET-capped CdSe QDs]) of 1: 1.5. Moreover, using these independent chemical ‘knobs’, we have been able to reliably tune for a significant shift within our composites from ‘cold-white’ (9604 K) to ‘warm-white’ (4383 K) light emission.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Directional Bonding in Decaniobate Inorganic Frameworks

Abstract Metal–oxo clusters offer an opportunity to assemble inorganic and metal–organic frameworks (MOFs) by a controlled building‐block approach, which led to the revolutionary discoveries of zeolites and MOFs. Polyoxometalate clusters are soluble in water, but more challenging to link into frameworks; the inert oxo‐caps that provide solubility are resistant to replacement or further connectivity. We demonstrate how the unique directional bonding and varying basicity of the decaniobate ([Nb 10 ]) oxo‐caps can be exploited to build 1D, 2D, and 3D inorganic frameworks. In nine structures, A + (A=Li, Na, K, Rb and Cs), AE 2+ (AE=Ca, Sr, Ba) and Mn 2+ demonstrate that the dimensionality of the obtained material is controlled by cation charge and size. Increased cation charge decreases selectivity for oxo‐site bonding, leading to higher dimensional linking. Larger cation radii also decreases bonding selectivity, yielding higher dimensional materials. Ion‐exchange studies of the A + ‐Nb 10 family shows exclusive selectivity for Cs + over other alkalis, which is important for radioactive Cs removal and sequestration.

Martin, Nicolas P.↗
DOE OSTI2015

Diselenophosphate-Induced Conversion of an Achiral [Cu 20 H 11 {S 2 P(O i Pr) 2 } 9 ] into a Chiral [Cu 20 H 11 {Se 2 P(O i Pr) 2 } 9 ] Polyhydrido Nanocluster

A polyhydrido copper nanocluster, [Cu 20 H 11 {Se 2 P(OiPr) 2 } 9 ] (2 H ), which exhibits an intrinsically chiral inorganic core of C-3 symmetry, was synthesized from achiral [Cu 20 H 11 {S 2 P(OiPr) 2 } 9 ] (1(H)) of C-3h symmetry by a ligand-exchange method. Likewise, the structure has a distorted cuboctahedral Cu-13 core, two triangular faces of which are capped along the C-3 axis, one by a Cu-6 cupola and the other by a single Cu atom. The Cu-20 framework is further stabilized by 9 diselenophosphate and 11 hydride ligands. The number of hydride, phosphorus, and selenium resonances and their splitting patterns in multinuclear NMR spectra of 2(H) indicate that the chiral Cu20H11 core retains its C-3 symmetry in solution. Moreover, the 11 hydride ligands were located by neutron diffraction experiments and shown to be capping (3)-H and interstitial (5)-H ligands (in square-pyramidal and trigonal-bipyramidal cavities), as supported by DFT calculations on [Cu 20 H 11 (Se 2 PH 2 ) 9 ] (2 H ') as a simplified model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Superconducting Phases of Phosphorus Hydride Under Pressure: Stabilization by Mobile Molecular Hydrogen

At 80 GPa, phases with the PH 2 stoichiometry, which are composed of simple cubic like phosphorus layers capped with hydrogen atoms and layers of H 2 molecules, are predicted to be important species contributing to the recently observed superconductivity in compressed phosphine. In this work, the electron–phonon coupling in these phases results from the motions of the phosphorus atoms and the hydrogen atoms bound to them. The role of the mobile H 2 layers is to decrease the Coulomb repulsion between the negatively charged hydrogen atoms capping the phosphorus layers. An insulating PH 5 phase, the structure and bonding of which is reminiscent of diborane, is also predicted to be metastable at this pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗