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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 1,585 records · Page 88
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Magnetic properties and scale-up of nanostructured cobalt carbide permanent magnetic powders

Co{sub x}C magnetic nanoparticles were successfully synthesized via a modified polyol process without using a rare-earth catalyst during the synthesis process. The present results show admixtures of Co{sub 2}C and Co{sub 3}C phases possessing magnetization values exceeding 45 emu/g and coercivity values exceeding 2.3 kOe at room temperature. Moreover, these experiments have illuminated the important role of surfactants, reaction temperature, and reaction duration on the crystallographic structure and magnetic properties of Co{sub x}C, while tetraethylene glycol was employed as a reducing agent. The role of the ratios of Co{sub 2}C and Co{sub 3}C phases in the admixture magnetic properties is discussed. The crystallographic structure and particle size of the Co{sub x}C nanoparticles were characterized by X-ray diffractometry and scanning electron microscopy. Vibrating sample magnetometry was used to determine magnetic properties. Scale-up of synthesis to more than 5 g per batch was demonstrated with no significant degradation of magnetic properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Crystalline Silicotitanate ion exchange media long-term storage evaluation

Crystalline Silicotitanate a (CST) ion exchange media is produced in an engineered form, known as IONSIV™ IE-911. This material has been tested extensively for use in removing 137 Cs from Savannah River Site (SRS) and Hanford site tank waste. This inorganic material is highly selective for removing cesium ions, even in the presence of high concentrations of sodium and potassium ions and is tolerant of the harsh conditions of the varying tank chemistries. A batch of caustic washed IE-911 that had been produced by the supplier and received at SRS in 2001 was tested to verify that it was still in good condition after the extended storage. This testing involved standard batch contacts to measure the removal of Cs from simulated tank waste. This report describes the results of testing performed to verify that the IE-911 matches the performance of previous batches of this media. To confirm that the performance of IE-911 is similar to previous batches and that no degradation had occurred during storage, batch contact testing was performed using SRNL’s standard methodology using a non-radioactive SRS Average Waste Simulant composition utilized in previous studies. Batch contact kinetics testing was also conducted to determine cesium loading on this batch versus time. The cesium equilibrium loading isotherm in SRS simulant at 23°C was compared to ZAM isotherm model predictions and previous test results with IE-911 media. The measured and predicted distribution coefficients and cesium loading (“Q”) are shown in Table ES-1. The physical properties of the material were also determined, including density, moisture content, and particle size.

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

Performance Comparison of Machine Learning Models for Ultrasonic Nondestructive Evaluation of Alkali-Silica Reaction in Concrete

Alkali-silica reaction (ASR) causes concrete degradation, leading to cracking, rebar corrosion, and reduced structural integrity, which raises safety concerns. Ultrasonic nondestructive evaluation (NDE) effectively assesses concrete properties and monitors ASR progression. However, its deployment and analysis require specialized expertise and subjective interpretation. As computational power increases, artificial intelligence (AI) and machine learning (ML) algorithms are increasingly being used to automate NDE data analysis across various industries for AI-assisted automation. Regulatory agencies are adapting to this technological shift, prompting a need to evaluate current ML technologies’ capabilities and limitations in assessing concrete material properties and damage. This report presents a comparative analysis of four ML regression models for predicting concrete material damage induced by ASR expansion using long-term ultrasonic data monitoring. The models investigated include linear regression (LR), support vector regression (SVR), shallow neural networks (NN), and deep neural networks (DNN). LR, SVR, and shallow NN models use features extracted from ultrasonic signals, whereas the DNN model processes time-domain ultrasonic signals and frequency spectra directly. The study systematically compared the models’ performance from various perspectives, including model input, prediction performance, and generalization ability. The findings indicate significant variability in model performance, with some ML algorithms achieving very high or very low prediction accuracy depending on the preprocessing and feature engineering (extraction and selection) applied. Key insights include the observation that shallow ML models (LR, SVR, and shallow NNs) require meticulous preprocessing and feature extraction to achieve high accuracy. In contrast, the DNN model, although it bypasses the need for feature engineering, necessitates extensive preprocessing to mitigate noise and computational demands. The SVR model emerged as the top performer among the shallow models, and the DNN model exhibited superior performance on specific datasets but struggled with generalization across specimens from different batches. Additionally, the SVR model is sensitive to temperature variations, whereas the DNN model is robust in this regard. Using recurrent neural networks is recommended for future ASR expansion prediction studies. Recurrent neural networks’ inherent ability to capture temporal dependencies and long-term patterns makes them well suited for analyzing sequential ultrasonic monitoring data. Overall, the results and conclusions of this study could provide insights into the capabilities and effectiveness of ML when applied to ultrasonic NDE data and help identify best practices for using ML for ultrasonic NDE of concrete material properties.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Co-pyrolysis of low rank coals and biomass: Product distributions

Pyrolysis and gasification of combined low rank coal and biomass feeds are the subject of much study in an effort to mitigate the production of green house gases from integrated gasification combined cycle (IGCC) systems. While co-feeding has the potential to reduce the net carbon footprint of commercial gasification operations, the effects of co-feeding on kinetics and product distributions requires study to ensure the success of this strategy. Southern yellow pine was pyrolyzed in a semi-batch type drop tube reactor with either Powder River Basin sub-bituminous coal or Mississippi lignite at several temperatures and feed ratios. Product gas composition of expected primary constituents (CO, CO{sub 2}, CH{sub 4}, H{sub 2}, H{sub 2}O, and C{sub 2}H{sub 4}) was determined by in-situ mass spectrometry while minor gaseous constituents were determined using a GC-MS. Product distributions are fit to linear functions of temperature, and quadratic functions of biomass fraction, for use in computational co-pyrolysis simulations. The results are shown to yield significant nonlinearities, particularly at higher temperatures and for lower ranked coals. The co-pyrolysis product distributions evolve more tar, and less char, CH{sub 4}, and C{sub 2}H{sub 4}, than an additive pyrolysis process would suggest. For lignite co-pyrolysis, CO and H{sub 2} production are also reduced. The data suggests that evolution of hydrogen from rapid pyrolysis of biomass prevents the crosslinking of fragmented aromatic structures during coal pyrolysis to produce tar, rather than secondary char and light gases. Finally, it is shown that, for the two coal types tested, co-pyrolysis synergies are more significant as coal rank decreases, likely because the initial structure in these coals contains larger pores and smaller clusters of aromatic structures which are more readily retained as tar in rapid co-pyrolysis.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS1994

High-efficiency, deep-junction, epitaxial InP solar cells on (100) and (111)B InP substrates

We report on the development and performance of deep-junction (approximately 0.25 micron), graded-emitter-doped, n(sup +)-p InP solar cells grown by metallorganic chemical vapor deposition (MOCVD). A novel, diffusion-transport process for obtaining lightly-doped p-type base regions of the solar cell is described. The I-V data and external quantum-efficiency response of these cells are presented. The best active-area AMO efficiency for these deep-junction cells on (100)-oriented InP substrates is 16.8 percent, with a J(sub SC) of 31.8 mA/sq cm, a V(sub OC) of 0.843 V, and a fill-factor of 0.85. By comparison, the best cell efficiency on the (111)B-oriented InP substrates was 15.0 percent. These efficiency values for deep-junction cells are encouraging and compare favorably with performance of thin-emitter (0.03 micron) epitaxial cells as well as that of deep-emitter diffused cells. The cell performance and breakdown voltage characteristics of a batch of 20 cells on each of the orientations are presented, indicating the superior breakdown voltage properties and other characteristics of InP cells on the (111)B orientation. Spectral response, dark I-V data, and photoluminescence (PL) measurements on the InP cells are presented with an analysis on the variation in J(sub SC) and V(sub OC) of the cells. It is observed, under open-circuit conditions, that lower-V(sub OC) cells exhibit higher band-edge PL intensity for both the (100) and (111)B orientations. This anomalous behavior suggests that radiative recombination in the heavily-doped n(sup +)-InP emitter may be detrimental to achieving higher V(sub OC) in n(sup +)-p InP solar cells.

Venkatasubramanian, R.↗
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 OSTI2020

Investigation of the end-gas autoignition process in natural gas engines and evaluation of the methane number index

Engine knock and misfire are barriers to pathways leading to high-efficiency Spark-Ignited (SI) Natural Gas (NG) engines. The general tendency to knock is highly dependent on engine operating conditions and the fuel reactivity. The problem is further complicated by the wide range of chemical reactivity in pipeline quality NG, represented by the Methane Number (MN) (65< MN<95). Understanding the underlying phenomena responsible for engine knock can support the development of predictive tools capable of identifying knock onset/intensity as well as a fuel’s propensity to knock, allowing engine manufacturers to expand the knock envelope and design more efficient/robust SI NG engines. Additionally, there is an opportunity for increased efficiency by controlling levels of end-gas autoignition if this can be predicted and controlled. This work focuses on the development of a novel methodology to understand/predict a fuel’s propensity to knock. This methodology is based on the charge fraction undergoing autoignition, namely fractional end-gas autoignition (F-EGAI), and was developed based on first order laminar flame speeds and ignition delay analysis combined with a 0-D homogeneous batch reactor model. This methodology proved to be suitable to predict a fuel’s propensity to knock, even under conditions when light knock was observed. The simple modeling approach was used to explain the results from a series of MN tests with multiple NG compositions exhibiting a wide range of reactivity compositions and providing insight on why fuels of very different chemical compositions can have the same MN. Finally, a CFD model was developed was used to confirm the methodology capability and provide further insights in the physical and chemical phenomena behind end gas autoignition.

42 ENGINEERING↗
DOE OSTI2021

Labile Fe(III) supersaturation controls nucleation and properties of product phases from Fe(II)-catalyzed ferrihydrite transformation

We report Fe(II)-catalyzed ferrihydrite (Fh) transformation to more crystalline iron (oxyhydr)oxide phases is a widely occurring geochemical process which has been extensively studied as a function of Fe(II)/Fh ratios at fixed Fh loadings. However, recent isolation of an intermediate Fe(III) species resulting from Fe(II)-Fh contact that facilitates transformation by dissolution/reprecipitation suggests that the kinetics and properties of product phases will instead depend mostly on its rate of accumulation to a critical concentration, consistent with principles in the classical nucleation theory (CNT). This suggests a dependence both on the loading of Fe(II) on the surface, which controls the rate of labile Fe(III) formation, as well as the available volume of solution, which also impacts how fast it can achieve its critical concentration to nucleate product phases. To specifically examine the latter effect, here we studied transformation of 15 mg Fh in 1 mM FeSO 4 solutions at pH 7.2 in batch suspensions of 30 mL, 150 mL, and 450 mL volumes. Time-dependent concentrations of aqueous Fe(II), surface-associated Fe(II), and resulting labile Fe(III) were monitored along with bulk solids characterization as a function of time. Transmission electron microscopy (TEM) was used to visualize the evolution of phases at identical locations on TEM grids. The collective results show that the rates of Fh loss and emergence of product lepidocrocite (Lp) and goethite (Gt) as well as their phase proportions, nucleation mode and morphological properties depend directly on the rate of accumulation of the labile Fe(III) precursor to its critical concentration, which in our experiments was controlled simply by varying the available volume of solution into which it enters. Statistical analyses of TEM image data suggest that while both heterogeneous and homogeneous nucleation occurred in all experiments, the former was increasingly favored at lower Fh/solution ratio due to its lower nucleation barrier being more favorable at attendant lower supersaturations of Fe(III).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1992

Carbon and oxygen isotope study of carbonates from highly shocked clasts of the polymict breccia of the Haughton Crater (Canada)

It is known that the release of volatiles on impact is an important controlling factor in cratering processes in carbonate terranes and in the mobility of chemical elements. In order to assess the nature and the role of carbon- and oxygen-bearing volatiles during impact-induced metamorphism of sedimentary rocks, the C-13/C-12 and O-18/O-16 ratios and carbonate contents were determined for 30 shocked clasts from the Haughton Crater polymict breccia as well as for some unshocked carbonates from the sedimentary cover adjacent to the crater. Shock-induced CO2 loss during decarbonation of calcite is known to be a function of peak pressure and ambient partial pressure of the volatile species. In our clast samples, shocked from 20 to 60 GPa, we expect about 20 to 100 percent CO2 loss and preferential depletion in C-13 and O-18 in the residual carbonate. Rayleigh model (progressive loss of CO2) and batch model (single-step loss of CO2) curves for this depletion are shown. The magnitudes of the C-13 and O-18 depletions increase with the increase of the CO2 loss. In addition, the isotopic depletions should be correlated with an enrichment in CaO and MgO in the residual solid.

Agrinier, P.↗
DOE OSTI2021

Evaluation of Electrodialysis Desalination Performance of Novel Bioinspired and Conventional Ion Exchange Membranes with Sodium Chloride Feed Solutions

Electrodialysis (ED) desalination performance of different conventional and laboratory-scale ion exchange membranes (IEMs) has been evaluated by many researchers, but most of these studies used their own sets of experimental parameters such as feed solution compositions and concentrations, superficial velocities of the process streams (diluate, concentrate, and electrode rinse), applied electrical voltages, and types of IEMs. Thus, direct comparison of ED desalination performance of different IEMs is virtually impossible. While the use of different conventional IEMs in ED has been reported, the use of bioinspired ion exchange membrane has not been reported yet. The goal of this study was to evaluate the ED desalination performance differences between novel laboratory‑scale bioinspired IEM and conventional IEMs by determining (i) limiting current density, (ii) current density, (iii) current efficiency, (iv) salinity reduction in diluate stream, (v) normalized specific energy consumption, and (vi) water flux by osmosis as a function of (a) initial concentration of NaCl feed solution (diluate and concentrate streams), (b) superficial velocity of feed solution, and (c) applied stack voltage per cell-pair of membranes. A laboratory‑scale single stage batch-recycle electrodialysis experimental apparatus was assembled with five cell‑pairs of IEMs with an active cross-sectional area of 7.84 cm2. In this study, seven combinations of IEMs (commercial and laboratory-made) were compared: (i) Neosepta AMX/CMX, (ii) PCA PCSA/PCSK, (iii) Fujifilm Type 1 AEM/CEM, (iv) SUEZ AR204SZRA/CR67HMR, (v) Ralex AMH-PES/CMH-PES, (vi) Neosepta AMX/Bare Polycarbonate membrane (Polycarb), and (vii) Neosepta AMX/Sandia novel bioinspired cation exchange membrane (SandiaCEM). ED desalination performance with the Sandia novel bioinspired cation exchange membrane (SandiaCEM) was found to be competitive with commercial Neosepta CMX cation exchange membrane.

42 ENGINEERING↗
NASA NTRS2007

Tracking and Data Relay Satellite (TDRS) Orbit Estimation Using an Extended Kalman Filter

Alternatives to the Tracking and Data Relay Satellite (TDRS) orbit estimation procedure were studied to develop a technique that both produces more reliable results and is more amenable to automation than the prior procedure. The Earth Observing System (EOS) Terra mission has TDRS ephemeris prediction 3(sigma) requirements of 75 meters in position and 5.5 millimeters per second in velocity over a 1.5-day prediction span. Meeting these requirements sometimes required reruns of the prior orbit determination (OD) process, with manual editing of tracking data to get an acceptable solution. After a study of the available alternatives, the Flight Dynamics Facility (FDF) began using the Real-Time Orbit Determination (RTOD(Registered TradeMark)) Kalman filter program for operational support of TDRSs in February 2007. This extended Kalman filter (EKF) is used for daily support, including within hours after most thrusting, to estimate the spacecraft position, velocity, and solar radiation coefficient of reflectivity (C(sub R)). The tracking data used are from the Bilateration Ranging Transponder System (BRTS), selected TDRS System (TDRSS) User satellite tracking data, and Telemetry, Tracking, and Command (TT&C) data. Degraded filter results right after maneuvers and some momentum unloads provided incentive for a hybrid OD technique. The results of combining EKF strengths with the Goddard Trajectory Determination System (GTDS) Differential Correction (DC) program batch-least-squares solutions, as recommended in a 2005 paper on the chain-bias technique, are also presented.

Ward, Douglas T.↗
DOE OSTI2020

C-SAW: a framework for graph sampling and random walk on GPUs

Many applications require to learn, mine, analyze and visualize large-scale graphs. These graphs are often too large to be addressed efficiently using conventional graph processing technologies. Fortunately, recent research efforts find out graph sampling and random walk, which significantly reduce the size of original graphs, can benefit the tasks of learning, mining, analyzing and visualizing large graphs by capturing the desirable graph properties. This paper introduces C-SAW, the first framework that accelerates Sampling and Random Walk framework on GPUs. Particularly, C-SAW makes three contributions: First, our framework provides a generic API which allows users to implement a wide range of sampling and random walk algorithms with ease. Second, offloading this framework on GPU, we introduce warp-centric parallel selection, and two novel optimizations for collision migration. Third, towards supporting graphs that exceed the GPU memory capacity, we introduce efficient data transfer optimizations for out-of-memory and multi-GPU sampling, such as workload-aware scheduling and batched multi-instance sampling. Taken together, our framework constantly outperforms the state of the art projects in addition to the capability of supporting a wide range of sampling and random walk algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Determining mating type and ploidy in Rhodotorula toruloides and its effect on growth on sugars from lignocellulosic biomass

Rhodotorula toruloides is being developed for the use in industrial biotechnology processes because of its favorable physiology. This includes its ability to produce and store large amounts of lipids in the form of intracellular lipid bodies. Nineteen strains were characterized for mating type, ploidy, robustness for growth, and accumulation of lipids on inhibitory switchgrass hydrolysate (SGH). Mating type was determined using a novel polymerase chain reaction (PCR)-based assay, which was validated using the classical microscopic test. Three of the strains were heterozygous for mating type (A1/A2). Ploidy analysis revealed a complex pattern. Two strains were triploid, eight haploid, and eight either diploid or aneuploid. Two of the A1/A2 strains were compared to their parents for growth on 75%v/v concentrated SGH. The A1/A2 strains were much more robust than the parental strains, which either did not grow or had extended lag times. The entire set was evaluated in 60%v/v SGH batch cultures for growth kinetics and biomass and lipid production. Lipid titers were 2.33–9.40 g/L with a median of 6.12 g/L, excluding the two strains that did not grow. Lipid yields were 0.032–0.131 (g/g) and lipid contents were 13.5–53.7% (g/g). Four strains had significantly higher lipid yields and contents. Finally, one of these strains, which had among the highest lipid yield in this study (0.131 ± 0.007 g/g), has not been previously described in the literature.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Data for Determining Mating Type and Ploidy in Rhodotorula toruloides and its Effect on Growth on Sugars from Lignocellulosic Biomass

Rhodotorula toruloides is being developed for the use in industrial biotechnology processes because of its favorable physiology. This includes its ability to produce and store large amounts of lipids in the form of intracellular lipid bodies. Nineteen strains were characterized for mating type, ploidy, robustness for growth, and accumulation of lipids on inhibitory switchgrass hydrolysate (SGH). Mating type was determined using a novel polymerase chain reaction (PCR)-based assay, which was validated using the classical microscopic test. Three of the strains were heterozygous for mating type (A1/A2). Ploidy analysis revealed a complex pattern. Two strains were triploid, eight haploid, and eight either diploid or aneuploid. Two of the A1/A2 strains were compared to their parents for growth on 75%v/v concentrated SGH. The A1/A2 strains were much more robust than the parental strains, which either did not grow or had extended lag times. The entire set was evaluated in 60%v/v SGH batch cultures for growth kinetics and biomass and lipid production. Lipid titers were 2.33–9.40 g/L with a median of 6.12 g/L, excluding the two strains that did not grow. Lipid yields were 0.032–0.131 (g/g) and lipid contents were 13.5–53.7% (g/g). Four strains had significantly higher lipid yields and contents. One of these strains, which had among the highest lipid yield in this study (0.131 ± 0.007 g/g), has not been previously described in the literature.

Conversion↗
DOE OSTI2018

Immobilization of Radioactive Materials Using Porous Iron Composite Media - 18582

High levels of nitrate (NO{sub 3}) derived from agriculture and naturally occurring radioactive materials (NORM), primarily uranium (U) and natural decay chain products that have been mobilized by the influx of oxygenated, high-alkalinity water, are a threat to shallow groundwater resources in California. Porous Iron Composite (PIC) materials were evaluated as a water treatment option in a series of batch experiments. While the use of Zero Valent Iron (ZVI) to address groundwater contaminated with NO{sub 3} or U has been demonstrated, the ability of PICs to chemically reduce and immobilize U and other associated contaminants in oxygenated alkaline groundwater where soluble uranyl-carbonate species dominate and high NO{sub 3} levels may compete for reductive capacity remain a concern. Additionally, ZVI materials have been used to immobilize other redox sensitive radionuclides (e.g., technetium-99 ({sup 99}Tc)) with limited success. Batch tests were conducted using an artificial groundwater surrogate (i.e., CAGW for California Groundwater) containing ∼ 100 mg L{sup -1} NO{sub 3}{sup -}, 200 mg L{sup -1} alkalinity, 100 μg L{sup -1} U, 100 μg L{sup -1} rhenium (Re) as a non-radioactive surrogate for the nuclear fission product technetium-99 ({sup 99}Tc), 100 μg L{sup -1} stable strontium (Sr) as a surrogate for radium (Ra) and the fission product strontium-90 ({sup 90}Sr), and 50 μg L{sup -1} arsenic (As), a common groundwater contaminant. Five gram samples of the PIC material were reacted with 200 mL of CAGW under two different atmospheric conditions to evaluate the impact of O{sub 2}. Batch tests were also conducted in the presence and absence of another oxidized species, NO{sub 3}. At specific time intervals, a small aliquot was collected from each batch treatment for chemical analysis (i.e., U, Re, As, Fe, NO{sub 3}, etc.) and the pH and ORP of the remaining suspension was measured. The PIC was effective at fully reducing NO{sub 3}{sup -} levels over the extended reaction time, even though the reactor pH quickly increased above 8.0 during equilibration. Soluble levels of U and Re decreased in a similar fashion to NO{sub 3}{sup -} in the presence and absence of O{sub 2}. Soluble As levels decreased more rapidly than other contaminants, but remained at ∼ 1 μg L{sup -1}. Very little nitrite (NO{sub 2}{sup -}) was detected in the batch tests, with NH{sub 4}{sup +} levels consistent with the amount of NO{sub 3}{sup -} reduced. Similar rates of immobilization for U, Re, and As were observed in the presence and absence of NO{sub 3}{sup -}. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Scalable synthesis of nanoporous silicon microparticles for highly cyclable lithium-ion batteries

Nanoporous silicon is a promising anode material for high energy density batteries due to its high cycling stability and high tap density compared to other nanostructured anode materials. However, the high cost of synthesis and low yield of nanoporous silicon limit its practical application. Here, we develop a scalable, low-cost top-down process of controlled oxidation of Mg 2 Si in the air, followed by HCl removal of MgO to generate nanoporous silicon without the use of HF. By controlling the synthesis conditions, the oxygen content, grain size and yield of the porous silicon are simultaneously optimized from commercial standpoints. In situ environmental transmission electron microscopy reveals the reaction mechanism; the Mg 2 Si microparticle reacts with O 2 to form MgO and Si, while preventing SiO 2 formation. Owing to the low oxygen content and microscale secondary structure, the nanoporous silicon delivers a higher initial reversible capacity and initial Coulombic efficiency compared to commercial Si nanoparticles (3,033 mAh/g vs. 2,418 mAh/g, 84.3% vs. 73.1%). Synthesis is highly scalable, and a yield of 90.4% is achieved for the porous Si nanostructure with the capability to make an excess of 10 g per batch. Our synthetic nanoporous silicon is promising for practical applications in next generation lithium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

Iodine Immobilization by Materials through Sorption and Redox-Driven Processes: A Literature Review

Radioiodine-129 (129I) in the subsurface is mobile and limited information is available on treatment technologies. Scientific literature was reviewed to compile information on materials that could potentially be used to immobilize 129I through sorption and redox-driven processes, with an emphasis on ex-situ processes. Candidate materials to immobilize 129I include iron minerals, sulfur-based materials, silver-based materials, bismuth-based materials, ion exchange resins, activated carbon, modified clays, and tailored materials (metal organic frameworks (MOFS), layered double hydroxides (LDHs) and aerogels). Where available, compiled information includes material performance in terms of (i) capacity for 129I uptake; (ii) long-term performance (i.e., solubility of a precipitated phase); (iii) technology maturity; (iv) cost; (v) available quantity; (vi) environmental impact; (vii) ability to emplace the technology for in situ use at the field-scale; and (viii) ex situ treatment (for media extracted from the subsurface or secondary waste streams). Because it can be difficult to compare materials due to differences in experimental conditions applied in the literature, Part II of this review describes results of laboratory studies for selected materials using a standardized batch loading test.

Moore, Robert C.↗
DOE OSTI2017

The Effect of Ettringite on Cementitious Waste Form Development for Low- Activity Waste - 17170

The current Cast Stone formulation, with 8% ordinary Portland cement (OPC), 45% fly ash (FA), and 47% blast furnace slag (BFS), proposed for cementitious waste forms (CWFs) at the Hanford site has been shown to be inadequate for secondary liquid wastes sent to the Effluent Treatment Facility (ETF). This is due to the high sulfate concentrations and non-alkaline conditions present in the ETF waste stream that lead to the late formation of ettringite, [Ca{sub 6}Al{sub 2}(SO{sub 4}){sub 3}(OH){sub 12}.26(H{sub 2}O)], which can consequently cause undesirable swelling and cracks in the CWF that facilitate {sup 99}Tc release. To overcome this challenge, hydrated lime (HL), Ca(OH){sub 2}, can be used instead of FA to provide the Ca necessary to sequester sulfate early in the cast stone curing process through early formation of ettringite. Early ettringite formation minimizes the risk of localized disruptive action or harmful stress that lead to undesirable swelling and cracking of the CWF. Furthermore, early formation reduces the permeability of the CWF, further reducing the risk of {sup 99}Tc release and increasing structural stability. Two liquid waste simulants, 1) WTP off-gas condensate (WTP) and 2) Effluent Management Facility (EMF) process condensate combined with low activity waste (LAW) caustic scrubber (labeled EMF/CS), were prepared and tested for ettringite formation effects on HL-containing CWF development and {sup 99}Tc leachability. After curing for 28 days, X-ray diffraction analysis revealed that ettringite was formed in the early stages of curing for the CWFs prepared using both simulants. However, because of the higher sulfate concentration in the EMF/CS simulant and limited Ca and Al sources, some sulfate did not form ettringite during the early stages of curing, resulting in significant monolith swelling and cracking during subsequent leaching tests. Despite observable cracking in monoliths prepared with the EMF/CS simulant, low {sup 99}Tc release from HL-based waste forms was measured in later leaching periods tested by the EPA Method 1315 in both simulants. Ettringite-{sup 99}Tc co-precipitation batch experiments support a possible chemical sequestration mechanism that is hypothesized to contribute to the observed low {sup 99}Tc leach rates, which are likely the result of an additional chemical reaction that sequesters {sup 99}Tc rather than simply physical factors such as reduced porosity and permeability (or tortuosity). Overall these findings quantitatively support the use of HL to overcome the deleterious effects of sulfate-rich conditions on CWFs through early formation of ettringite and provide evidence for {sup 99}Tc release rates that fall within low risk levels reported by the United States Department of Energy (US DOE). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗