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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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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A graphics processing unit accelerated sparse direct solver and preconditioner with block low rank compression

We present the GPU implementation efforts and challenges of the sparse solver package STRUMPACK. The code is made publicly available on github with a permissive BSD license. STRUMPACK implements an approximate multifrontal solver, a sparse LU factorization which makes use of compression methods to accelerate time to solution and reduce memory usage. Multiple compression schemes based on rank-structured and hierarchical matrix approximations are supported, including hierarchically semi-separable, hierarchically off-diagonal butterfly, and block low rank. Here, in this paper, we present the GPU implementation of the block low rank (BLR) compression method within a multifrontal solver. Our GPU implementation relies on highly optimized vendor libraries such as cuBLAS and cuSOLVER for NVIDIA GPUs, rocBLAS and rocSOLVER for AMD GPUs and the Intel oneAPI Math Kernel Library (oneMKL) for Intel GPUs. Additionally, we rely on external open source libraries such as SLATE (Software for Linear Algebra Targeting Exascale), MAGMA (Matrix Algebra on GPU and Multi-core Architectures), and KBLAS (KAUST BLAS). SLATE is used as a GPU-capable ScaLAPACK replacement. From MAGMA we use variable sized batched dense linear algebra operations such as GEMM, TRSM and LU with partial pivoting. KBLAS provides efficient (batched) low rank matrix compression for NVIDIA GPUs using an adaptive randomized sampling scheme. The resulting sparse solver and preconditioner runs on NVIDIA, AMD and Intel GPUs. Interfaces are available from PETSc, Trilinos and MFEM, or the solver can be used directly in user code. We report results for a range of benchmark applications, using the Perlmutter system from NERSC, Frontier from ORNL, and Aurora from ALCF. For a high frequency wave equation on a regular mesh, using 32 Perlmutter compute nodes, the factorization phase of the exact GPU solver is about 6.5× faster compared to the CPU-only solver. The BLR-enabled GPU solver is about 13.8× faster than the CPU exact solver. For a collection of SuiteSparse matrices, the STRUMPACK exact factorization on a single GPU is on average 1.9× faster than NVIDIA’s cuDSS solver.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Section 106 Recordation, Interpretation, and Documentation for the Demolition of Buildings 9201-5 and 9204-4, Y-12 National Security Complex, Oak Ridge, Tennessee

In 2019 and 2020, Cultural Resource Analysts, Inc. (CRA), began preparing recordation packages for 18 World War II and Cold War Era buildings slated for demolition at the request of Consolidated Nuclear Security, LLC (CNS), on behalf of the U.S. Department of Energy (DOE), National Nuclear Security Administration (NNSA). The recordations for these 18 buildings, which are located within what is now known as the Y-12 National Security Complex (Y-12) in Oak Ridge, Tennessee, were prepared and submitted in two separate packages. The first report (EC-NP-004) was prepared as a mitigation measure to address adverse effects that will result from the proposed demolition of 16 support and ancillary buildings. The current report is the second of the two packages and addresses the last two of the 18 buildings slated for demolition (9201-5 and 9204-4), which are two of the large process buildings located at Y-12. All 18 of these buildings have previously been determined eligible for listing in the National Register of Historic Places (NRHP). The two buildings, Building 9201-5 and Building 9204-4, are located south of Bear Creek Road and west of the main Y-12 entrance gate. Both buildings were constructed as uranium enrichment facilities in support of the Manhattan Project, a top-secret World War II mission to develop the world’s first nuclear weapons. Building 9201-5, completed in October 1944, is the Alpha-5 process facility and Building 9204-4, completed in Fall 1945, is the Beta-4 process facility. Over the years, these facilities were repurposed for a number of different functions.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

FTS3 Summer Container Integration Project

SLATE is discontinuing the previously used FTS3 container images so this project focuses on migrating these images, updating them from Scientific Linux 7 (SL7) to AlmaLinux 9, building a continuous integration (CI) pipeline, and executing self-hosted CI runners. This allows FNAL to no longer rely on the SLATE images.

Nnaji, Victoria C.↗
DOE OSTI2026

Proliferated Resilient Economical Half-Meter Aperture Space Telescopes (PREEMPT)

The PREEMPT LDRD was motivated by a major national need for better space-based imaging systems that are both high performing and affordable for the US Government. Current optical payloads for intelligence, surveillance and reconnaissance (ISR) and space domain awareness (SDA) missions can cost hundreds of millions of dollars and take years to develop, which makes it difficult to build the large constellations required for persistent, world-wide coverage. To address this, the team aimed to advance a different kind of large-aperture (>25 cm) telescope, called a monolithic telescope, in which key optical surfaces are built into a single piece of fused silica. This design greatly reduces payload and spacecraft complexity, the need for precision focus actuators, improves mechanical and thermal robustness, and lowers cost when compared with traditional Cassegrain telescopes that rely on many precisely aligned components. The project focused on five primary thrusts. The first thrust was to advance the concept of a V10, 25 cm, monolithic telescope forward from optical design to flight-ready stage. This was accomplished in partnership with Optimax, who delivered the first test unit in the early stages of the LDRD. The team developed several technologies necessary for this optic to be integrated into a flight demonstration. These include carbon fiber housings, highly detailed structural and thermal models and stress-reducing elastic averaging Hirth groove designs. These technologies resulted in a successful maturation of the optic, which is now slated to fly in late 2026/early 2027 for a demonstration mission. The second thrust was to advance the manufacturability of these optics. In collaboration with NIF’s optical manufacturing shop, we reduced polishing time from 480 hours to 65 hours through the implementation of optimized processes and new tools. The NIF team utilized a conceptual V8 (18 cm) optic to demonstrate this optimization, though it can be applied to the rest of the monolithic optic portfolio. Third, the team developed the first conceptual V20 (50 cm) payload, which is slated to be the next generation of LLNL optical payload systems. A set of structural, dynamic and thermal simulations were performed to identify potential challenges in the future development of this payload. Early-stage simulations suggest the payload is feasible, though thermal management will be the key focus area to maintain optimal performance. Fourth, a non-linear model of Viton was developed, to further enhance the reliability of our structural and dynamic models for future payloads. Viton acts as the primary interface material between the optic and its housing. Lastly, the team focused on successfully displaying the feasibility of using additively manufactured metal composites for optical space payloads. The team successfully demonstrated layer by layer deposition of Al-SiC composites, which have highly tunable structural and coefficient of thermal expansion (CTE) properties. These are crucial for optical payloads because CTE mismatch is one of the causes for degraded optical performance for telescopes in orbit. Overall, the work showed that monolithic telescopes could become a practical, lower-cost path to high-resolution space imaging for both national security and scientific missions.

42 ENGINEERING↗
NASA NTRS2004

Electrostatics of Granular Materials

The purpose of the research was to continue developing an understanding of electrostatic phenomena in preparation for any future flight opportunities of the EGM experiment, originally slated for a 2004 Space Station deployment. Work would be based on theoretical assessments, ground-based lab experiments, and reduced-gravity experiments. The ability to examine dipoles in the lab proved to be elusive, and thus, effort was concentrated on monopoles -how materials become charged, the fate of the charge, the role of material type, and so forth. Several significant milestones were achieved in this regard. In regard of the dipoles, experiments were designed in collaboration with the University of Chicago school district who had access to reduced gravity on the KC-135 aircraft. Two experiments were slated to fly last year but were cancelled after the Columbia accident. One of the experiments has been given a second life and will fly sometime in 2005 if the Shuttle flights resume. There remains active interest in the question of electrostatic dipoles within the educational community, and experiments using magnetic dipoles as a substitute are to be examined. The KC-135 experiments will also examine dispersion methods for particles as a verification of possible future techniques in microgravity. Both laboratory and theoretical work established a number of breakthroughs in our understanding of electrostatic phenomena. These breakthroughs are listed in this paper.

Marshall, John↗
NASA NTRS2004

Physics in NASA Exploration

The primary focus of the workshop was NASA's new concentration on sending crewed missions to the Moon by 2020, and then on to Mars and beyond. Several speakers, including JPL s Fred O Callaghan and NASA's Mark Lee, broached the problem that there is now a serious reduction of capability to perform experiments in the ISS, or to fly significant mass in microgravity by other means. By 2010, the shuttle fleet will be discontinued and Russian craft will provide the only access to the ISS. O Callaghan stated that the Fundamental Physics budget is being reduced by 70%. LTMPF and LCAP are slated for termination. However, ground-based experiments are continuing to be funded at present, and it will be possible to compete for $80-90 million in new money from the Human Research Initiative (HRI). The new program thrust is for exploration, not fundamental physics. Fundamental, we were told by Lee, does not ring well in Washington these days. Investigators were advised to consider how their work can benefit missions to the Moon and Mars. Work such as that regarding atomic clocks is looked upon with favor, for example, because it is considered important to navigation and planetary GPS. Mark Lee stressed that physicists must convey to NASA senior management that they are able and willing to contribute to the new exploration research programs. The new mentality must be we deliver products, not do research. This program needs to be able to say that it is doing at least 50% exploration-related research. JPL s Ulf Israelsson discussed the implications to OBPR, which will deliver methods and technology to assure human health and performance in extraterrestrial settings. The enterprise will provide advanced life-support systems and technology that are reliable, capable, simpler, less massive, smaller, and energy-efficient, and it may offer other necessary expertise in areas such as low-gravity behavior. Like Dr. Lee, he stated that the focus must be on products, not research. While there is not yet a formal direction, he said, LTMPF and PARCS ISS flight projects are slated to terminate in October 2004. All flight investigations are being returned to ground programs and phased out by the end of FY07. Physics ground programs are intact for now, but to survive we must shift about 50% of research to supporting exploration. Basic research programs in other disciplines are being cancelled. Product lines will support human health, safety and life-support, including countermeasures against radiation and other hazards, as well as advances in time-keeping, navigation and communications technologies. Israelsson said that the new Fundamental Physics for Exploration Roadmap points to how fundamental physics research can and does support exploration. JPL will use the roadmap to argue for support for fundamental physics research under several codes. Nicholas Bigelow of the University of Rochester encouraged attendees not to become discouraged, but rather to embrace the opportunities presented by NASA's new direction.

O'Callaghan, Fred↗
NASA NTRS1993

Surfactant-Assisted Coal Liquefaction

Obtaining liquid fuels from coal which are economically competitive with those obtained from petroleum based sources is a significant challenge for the researcher as well as the chemical industry. Presently, the economics of coal liquefaction are not favorable because of relatively intense processing conditions (temperatures of 430 degrees C and pressures of 2200 psig), use of a costly catalyst, and a low quality product slate of relatively high boiling fractions. The economics could be made more favorable by achieving adequate coal conversions at less intense processing conditions and improving the product slate. A study has been carried out to examine the effect of a surfactant in reducing particle agglomeration and improving hydrodynamics in the coal liquefaction reactor to increase coal conversions...

Hickey, Gregory S.↗
NASA NTRSDate not supplied

EDS to the Moon!

The Electrostatics and Surface Physics Laboratory at NASA Kennedy Space Center is slated to send multiple Electrodynamic Dust Shields (EDS) to the surface of the moon. This paper discusses the EDS onboard a Commercial Lunar Payload System or CLPS mission slated to launch to the moon on July 27, 2023 on Firefly Aerospace’s Blue Ghost Lander to Mare Crisium. The EDS payload consists of a camera EDS, a separate glass EDS, a thermal radiator EDS as well as a Re-Duster system based on EDS technology. The EDS will be deposited on the ground by a deployable structure on the lunar lander shortly after touchdown and its operations will take precedence over the other 10 payloads on the lander. The camera will record images and videos of dust deposition and removal on both the Thermal Radiator EDS and the Glass EDS. Data handling will be done using a Data Storage Unit (DSU) developed by NASA Langley Research Center and downlinked to Earth in real time.

Charles R Buhler↗
DOE OSTI2023

Effects of soybean varieties on life-cycle greenhouse gas emissions of biodiesel and renewable diesel

This study presents a life-cycle analysis (LCA) of the greenhouse gas (GHG) emissions of biodiesel (BD) and renewable diesel (RD) produced from soybean varieties with altered oil profiles and meal composition. The varieties evaluated include those with high oleic oil content (78% of oil being oleic oil vs. the current content of 25%), high lipid content (25% vs. the current content of 19%) or high protein content (45% vs. the current content of 35%). The results suggest that high-oleic soybean oil could reduce GHG emissions of RD by 1 g CO 2 e/MJ by reducing hydrogen consumption in the hydro-treating stage of RD production. With the default allocation method (mass-based allocation between oil and meal), changes in lipid and protein contents have negligible impacts on GHG emissions of BD/RD pathways. Since high-protein soybean meal has a higher nutrient value, we employed the market-based allocation for sensitivity analysis. Assuming a market price of $1.17/dry kg and an average of two substitute feeds with similar protein contents (corn gluten and fish meal), the allocation factor for soybean meal increases from 63 to 81%. Compared with the results for the case with commodity soybean using mass allocation, GHG emissions could be 1.9 and 1.8 g CO 2 e/MJ lower for BD and RD, respectively. In addition to product-level LCA, we employed a land-based LCA to evaluate the effect of soybean properties on product slates with the same land area and the associated displacement of conventional products. The results suggest that high-lipid soybeans may offer more GHG savings than other varieties as the higher BD/RD yield replaces more fossil diesel. © 2023 UChicago Argonne, LLC, Operator of Argonne National Laboratory and Northrup, Ag. Biofuels, Bioproducts and Biorefining published by Society of Industrial Chemistry and John Wiley & Sons Ltd.

09 BIOMASS FUELS↗
DOE OSTI2024

Life-cycle analysis of offshore macroalgae production systems in the United States

Offshore macroalgae production offers the potential to provide valuable biomass for food, energy, and higher value products without the use of land or freshwater while using excess nutrients and carbon dioxide. To realize this potential, the Macroalgae Research Inspiring Novel Energy Resources program of the Advanced Research Projects Agency-Energy has initiated projects to develop advanced cultivation technologies that enable the cost- and energy-efficient production of macroalgal biomass. Here, this study addresses the life-cycle greenhouse gas emissions and energy return on investment for five U.S. offshore macroalgae production systems designed for deployment at the thousand-hectare scale using a detailed module developed within the GREET life-cycle analysis model for this study. The carbon intensity of macroalgae production system designs, expressed as kg of carbon dioxide equivalent per dry metric ton of algae harvested, vary widely from 49 to 220 and confirm that biomass productivity has the highest degree of sensitivity across the model parameters tested. Regardless of the system designs, the upstream and combustion emissions from fuel use are the key contributor (over 45 %) to carbon intensity, indicating that the use of low-carbon fuels (e.g., renewable diesel) could further reduce greenhouse gas emissions. Further studies need to specify the market opportunity and specific product slates for macroalgae to provide a complete picture of the environmental impacts of macroalgal feedstock.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Process design and techno-economic analysis for bio-based graphite and liquid hydrocarbons production from lignocellulosic biomass

The worldwide demand for graphite, as the main anode material for Li-ion batteries, is expected to double by 2028 since it supports the use of electricity, including transient renewable sources, for energy storage, sustainable mobility, and automation. However, the dependence on non-renewable and external resources jeopardizes the world supply chain. This study explores the technical and economic performance of transforming lignocellulosic biomass into biographite and fuel-grade hydrocarbons through pyrolysis bio-oil upgrading. According to simulation results, the total power demand for the biorefinery reached 10,784 kWh per tonne of biographite, of which 36 % can be supplied by the heat integration network and power plant. Sensitivity and risk analyses were conducted to evaluate the economics, with process yields identified as the most relevant indicators to the minimum selling price (MSP). The analysis revealed a promising cost-competitive range for biographite MSP against fossil-based graphite (medium quality synthetic graphite Chinese market price ~$\$$4.2/kg). Case D, which includes biofuels as a byproduct, presents the best metrics, reaching a MSP of $\$$3.3/kg of anode-grade biographite with a profit margin of 27 %. While including biofuels in the product slate provides the best economic performance, the uncertainty associated with the big capital investment makes its risk 13 % higher to attain an IRR >20 % than the case in which biographite is produced as a standalone product. Overall, this study demonstrates that integrated biorefineries can produce a cost-competitive bio-based anode material for Li-ion batteries.

09 BIOMASS FUELS↗
DOE OSTI2022

Off-spec fly ash-based lightweight aggregate properties and their influence on the fresh, mechanical, and hydration properties of lightweight concrete: A comparative study

An off-spec fly ash-based spherical lightweight aggregate (LWA), designated as Spherical Porous Reactive Aggregate (SPoRA), was manufactured through a lab pilot-scale production and its engineering properties, including specific gravity, dry rodded unit weight, water absorption, mechanical performance, and pore structure, were evaluated. Using SPoRA, lightweight concrete (LWC) samples were made and their fresh, mechanical, and hydration properties were assessed and compared with LWC samples made using two commercial LWA available in the US market. The results indicated that fine and coarse SPoRA had 72 h water absorption capacities of 16.4 % and 20.9 %, respectively, which were higher than that of the two commercial LWAs. Higher saturated surface dry specific gravity of SPoRA compared to commercial LWAs led to a higher fresh density for the corresponding LWC. Using X-ray computed tomography, large spherical type pores were observed in SPoRA similar to those in the commercial slate-based LWA. Additionally, the pore size distribution of SPoRA, characterized by a dynamic vapor sorption analyzer, indicated that more than 97 % of the pores had diameters greater than 50 nm. SPoRA’s average bulk crushing strength was 6.8 MPa which was smaller than commercial LWA and was potentially attributed to the differences in manufacturing processes. Nonetheless, SPoRA LWC with 28 days compressive strength of 29 MPa passed the ASTM C330 requirement and had a comparable strength with LWC prepared with the commercial LWAs indicating lesser importance for the LWA strength. SPoRA LWC had a flowability of 5 % compared to LWC prepared with commercial LWAs having flowability of 18 %. This observation was potentially related to the fluxing agent used in the SPoRA production. SPoRA had a 70 % degree of hydration at 12 days which was comparable with that of LWC prepared with commercial LWA.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Economic analysis of the benefits to petroleum refiners for low carbon boosted spark ignition biofuels

A refinery modeling framework is developed to estimate the benefits of blending high-quality biofuels directly with refinery gasoline components for attaining a premium grade fuel (also termed as Co-Optima Boosted SI gasoline here). Our results change the paradigm of bio-blendstocks (BBs) being competitors to fossil components, by identifying opportunities for refineries to add value to their product slate, from some favorable BB properties. This potential value can be characterized by calculating the breakeven value (BEV), as defined down below. The proposed modeling framework incorporates extensive data from (1) projected product over the next few decades, (2) crude oil and refinery products pricing, and (3) fuel specifications. The complete refinery models serve as a basis for assessing the value of biofuels, assuming profitability remains the same for representative petroleum refinery configurations. Our assessment showed wide range of variation of biofuels BEV from $\$$20-$\$$120/bbl, within the considered blending level and crude prices. Further, the BEV was correlated with the fuel octane ratings such as octane numbers (research, RON and motor octane numbers, MON) and both antiknock index (AKI, average of RON and MON) and sensitivity (S, difference between RON and MON), with a slightly higher correlation with the sensitivity. However, the expected decrease in gasoline demand for the upcoming years could negatively impact biofuels demand and value, in a business-as-usual scenario. Our analysis also showed a more valuable bio-blendstocks incorporation in smaller refineries since they can enhance the capabilities for producing specialty, high-value fuels/products, and introduce high octane-barrels into otherwise constrained blending operations. Additional implications towards refiners include opportunities to rebalance operations, access to high-value fuel markets, and synchronization with broader transportation industry trends. Furthermore, results indicate the value of Co-Optima boosted spark ignition (BSI) efficiency gains can extend to refiners to incentivize decarbonization and diversified feedstock production.

09 BIOMASS FUELS↗
DOE OSTI2023

Life-cycle analysis of recycling of post-use plastic to plastic via pyrolysis

Advanced recycling enables the application of post-use plastics (PUP) to produce valuable industrial chemicals and develop markets for recycled feedstocks. Pyrolysis is one of the most common advanced recycling technologies undergoing industrial-scale implementation for converting PUP. This paper presents a life cycle analysis (LCA) to assess greenhouse gas (GHG) emissions, fossil energy, water consumption, and solid waste impacts of converting PUP into new plastics such as high-density and low-density polyethylene (HDPE and LDPE, respectively). Data was collected from eight plastic pyrolysis companies. This study addresses the impacts of pyrolysis plant size and maturity; two substitution rate (SR) cases of pyrolysis oil with fossil-derived feedstocks in steam crackers (5% and a 20% of pyrolysis oil SR); and potentially avoided emissions from traditional end-of-life (EOL) management. Because the conventional feedstock slate of steam crackers in the Unites States is comprised of 94% gases (a mix of ethane, propane, and butane) and 6% naphtha, the 5% SR case looked at polyethylene (PE) derived from 5% pyrolysis oil, 1% naphtha, and 94% gases; while the 20% SR looked at PE derived from 20% pyrolysis oil and 80% gases. Moreover, the results are presented from two perspectives: 1) steam crackers' and 2) plastic recyclers'. In the recyclers' perspective, the results for the 5% SR showed for each kg of PUP used there was a 23% and 18% decrease in GHG emissions for HDPE and LDPE respectively, while the 20% SR showed a 4% and 3% reduction in GHG emissions for HDPE and LDPE respectively compared to virgin plastic. The 20% SR has lower GHG emissions reductions because there is an added step of hydrotreating the pyrolysis oil to remove chlorine concentrations that is not included in the 5% SR scenario. Furthermore, the 5% SR removes most of the naphtha, a more carbon intense feedstock, and replaces it with PUP-based pyrolysis oil, a less carbon intense feedstock. GHG emissions for PUP pyrolysis could be further reduced by 50% and 131% in the United States and European Union respectively if the GHG emissions of current PUP incineration practices were considered as emission reductions credits.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

High performance sparse multifrontal solvers on modern GPUs

Here, we have ported the numerical factorization and triangular solve phases of the sparse direct solver STRUMPACK to GPU. STRUMPACK implements sparse LU factorization using the multifrontal algorithm, which performs most of its operations in dense linear algebra operations on so-called frontal matrices of various sizes. Our GPU implementation off-loads these dense linear algebra operations, as well as the sparse scatter–gather operations between frontal matrices. For the larger frontal matrices, our GPU implementation relies on vendor libraries such as cuBLAS and cuSOLVER for NVIDIA GPUs and rocBLAS and rocSOLVER for AMD GPUs. For the smaller frontal matrices we developed custom CUDA and HIP kernels to reduce kernel launch overhead. Overall, high performance is achieved by identifying submatrix factorizations corresponding to sub-trees of the multifrontal assembly tree which fit entirely in GPU memory. The multi-GPU setting uses SLATE (Software for Linear Algebra Targeting Exascale) as a modern GPU-aware replacement for ScaLAPACK. On 4 nodes of SUMMIT the code runs ~10X faster when using all 24 V100 GPUs compared to when it only uses the 168 POWER9 cores. On 8 SUMMIT nodes, using 48 V100 GPUs, the sparse solver reaches over 50TFlop/s. Compared to SuperLU, on a single V100, for a set of 17 matrices our implementation is faster for all but one matrix, and is on average 5X (median 4X) faster

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Organic colloid composition in variable-redox porewaters within a mountainous floodplain

Redox gradients, often driven by changes in sediment moisture levels in porous, heterogeneous groundwater systems, create dynamic conditions that may promote the production and transport of colloids within natural waters. While much research has focused on the inorganic composition of colloids, the organic composition remains less well understood. Organic matter (OM) in colloids may associate with minerals, complex metal ions, and serve as an electron donor for microbial respiration; therefore, its composition is of high interest. We examined the composition of porewater OM along a redox gradient in a riparian soil located along the Slate River in Crested Butte, Colorado, USA as a function of depth (90, 130, 200, and 350 cm below ground surface). All depths were oxic to suboxic, except 200 cm, where the products of iron and sulfate reduction were observed concomitant with an increase in dissolved and/or colloidal OM, pH, alkalinity, and conductivity. We investigated the composition of porewater using correlated scanning transmission X-ray microscopy and transmission electron microscopy. We observed a change in the OM chemistry from carboxylate-rich at the 200 cm depth (where it was also enmeshed with non-crystalline iron) to phenol- and substituted-aromatic-rich at other depths. Radiocarbon dating revealed carbon in porewater at 200 cm was younger than depths above and below. Soil porewater can flow down into the underlaying gravel bed during baseflow conditions, thus we speculate whether riparian porewater could transport iron- and carboxylate-rich organic colloids into surrounding surface waters through the gravel bed conduit.

Alpine floodplain↗
DOE OSTI2024

Integration of pH Control into Chi.Bio Reactors and Demonstration with Small-Scale Enzymatic Poly(ethylene terephthalate) Hydrolysis

Small-scale bioreactors that are affordable and accessible would be of major benefit to the research community. In previous work, an open-source, automated bioreactor system was designed to operate up to the 30 mL scale with online optical monitoring, stirring, and temperature control, and this system, dubbed Chi.Bio, is now commercially available at a cost that is typically 1–2 orders of magnitude less than commercial bioreactors. In this work, we further expand the capabilities of the Chi.Bio system by enabling continuous pH monitoring and control through hardware and software modifications. For hardware modifications, we sourced low-cost, commercial pH circuits and made straightforward modifications to the Chi.Bio head plate to enable continuous pH monitoring. For software integration, we introduced closed-loop feedback control of the pH measured inside the Chi.Bio reactors and integrated a pH-control module into the existing Chi.Bio user interface. We demonstrated the utility of pH control through the small-scale depolymerization of the synthetic polyester, poly(ethylene terephthalate) (PET), using a benchmark cutinase enzyme, and compared this to 250 mL bioreactor hydrolysis reactions. The results in terms of PET conversion and rate, measured both by base addition and product release profiles, are statistically equivalent, with the Chi.Bio system allowing for a 20-fold reduction of purified enzyme required relative to the 250 mL bioreactor setup. Through inexpensive modifications, the ability to conduct pH control in Chi.Bio reactors widens the potential slate of biochemical reactions and biological cultivations for study in this system, and may also be adapted for use in other bioreactor platforms.

09 BIOMASS FUELS↗
DOE OSTI2025

Single crystal purification reduces trace impurities in halide perovskite precursors, alters perovskite thin film performance, and improves phase stability

Impurities present in commercially available halide perovskite precursors are known to affect photovoltaic performance. Here, we employ bulk single crystal growth of FAPbI 3 using solvent orthogonality induced crystallization (SONIC) to remove a broad set of extrinsic impurities from commercially available halide perovskite precursors, as verified by detailed chemical analysis. Following SONIC purification, FAPbI 3 films made from PbI 2 of originally low purity (99%) and high purity (99.99%) show improved phase purity and stability under light and heat relative to films made from raw precursors or precursors purified via retrograde powder crystallization (RPC) in 2-methoxyethanol, a method commonly utilized in recent reports of the highest-efficiency perovskite solar cells. In conclusion, single-crystal purification of precursors improves film stability under operational stressors, and the large enhancements in material purity provide a cleaner slate for improved isolation of compositional and additive effects on perovskite phase stability.

14 SOLAR ENERGY↗