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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Initial results from safety testing of US AGR-2 irradiation test fuel - 18574

Two cylindrical compacts containing tri-structural isotropic (TRISO)-coated particles with kernels that contained a mixture of uranium carbide and uranium oxide (UCO) and two compacts with UO{sub 2}-kernel TRISO particles have undergone 1600 deg. C safety testing. These compacts were irradiated in the US Advanced Gas Reactor Fuel Development and Qualification Program's second irradiation test (AGR-2). The time-dependent releases of several radioisotopes ({sup 110m}Ag, {sup 134}Cs, {sup 137}Cs, {sup 154}Eu, {sup 155}Eu, {sup 90}Sr, and {sup 85}Kr) were monitored while heating the fuel specimens to 1600 deg. C in flowing helium for 300 h. The UCO compacts behaved similarly to previously reported 1600 deg. C-safety-tested UCO compacts from the AGR-1 irradiation. No failed TRISO or failed SiC were detected (based on krypton and cesium release), and cesium release through intact SiC was very low. Release behavior of silver, europium, and strontium appeared to be dominated by inventory originally released through intact coating layers during irradiation but retained in the compact matrix until it was released during safety testing. Both UO{sub 2} compacts exhibited cesium release from multiple particles whose SiC failed during the safety test. Europium and strontium release from these two UO{sub 2} compacts appeared to be dominated by release from the particles with failed SiC. Silver release was characteristically similar to the release from the UCO compacts in that an initial release of the majority of silver trapped in the matrix occurred during ramping to 1600 deg. C. However, additional silver release was observed later in the safety testing due to the UO{sub 2} TRISO with failed SiC. Failure of the SiC layer in the UO{sub 2} fuel may have been dominated by CO corrosion, as opposed to the palladium degradation observed in AGR-1 UCO fuel. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2015

A study on the criticality safety for the direct disposal of used nuclear fuel in Japan: Application of burnup credit to the criticality safety evaluation for the disposal canister - 14049

Japan has recently started the technical development of the direct disposal of used nuclear fuel (UNF) to prepare various disposal options. Unlike the disposal of radioactive waste from UNF reprocessing, criticality safety is important here because of the presence of a certain amount of fissile nuclides in UNF. This paper provides an outline of the research to be addressed in this field and the relevant studies in Japan. It especially includes the first result of a criticality safety evaluation of a disposal canister model adopting burnup credit. In this evaluation, it was assumed that a steel disposal canister loaded with fuel assemblies was surrounded by a clay buffer material, and the fuel assemblies and the disposal canister were intact. Conditions representative of discharged pressurized-water reactor (PWR) fuel were applied in this study - initial U-235 enrichment of 4.5 wt% and burnup of 45 GWd/t. The isotopic composition of the burnt fuel was evaluated using SWAT3.1 code. In the depletion calculation, conservative parameters were applied within the typical PWR operation range. The effective neutron multiplication factor (k{sub eff}) was then calculated using a continuous-energy Monte Carlo code MVP-2.0, adopting the JENDL-4.0 nuclear data library. Uncertainty in k{sub eff} due to depletion calculation errors was evaluated using the correction factors of isotopic composition, which were obtained via multiple comparisons between the calculated and measured isotopic concentrations of irradiated fuels. In addition, the effects of axial burnup profile and horizontal burnup gradient on k{sub eff} were evaluated using the open burnup distribution database. The k{sub eff} including the uncertainties and conservatism was found to be below 0.95 for both actinide-only and actinide and fission product considerations when the fuel assemblies and the disposal canister were assumed to be intact. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Criticality Analysis of FSV Spent Nuclear Fuel in the DOE Standard Canister

The U.S. Department of Energy (DOE) is responsible for managing over 300 types of spent nuclear fuel (SNF). To manage this large variety of fuel types, DOE plans to employ standardized canisters for the transportation, long-term storage, and eventual disposal of SNF. Idaho National Laboratory is currently supporting DOE’s SNF Packaging Demonstration Project, in which Fort Saint Vrain (FSV) fuel assemblies will be loaded into a DOE Standard Canister. This paper presents criticality calculations demonstrating that all four or five FSV fuel assemblies loaded into the DOE Standard Canister will remain subcritical in any expected normal or credible abnormal conditions. Previous criticality analyses were performed for one FSV fuel assembly and 12 Peach Bottom Core 2 fuel elements loaded into a DOE Standard Canister. This paper covers the criticality analysis performed for loading both four and five FSV fuel assemblies into a DOE Standard Canister. Various intact and degraded mode configurations were modeled in conducting the criticality calculations. This analysis encompassed three different configurations: (1) a single DOE Standard Canister loaded into a concrete storage overpack, (2) seven DOE Standard Canisters loaded into a concrete storage overpack, and (3) nine DOE Standard Canisters loaded into a concrete storage overpack. The overpack dimensions were varied for each of the three configurations, and transport, storage, and disposal scenarios were analyzed for each configuration. For transport scenarios, a pair of degradation cases was analyzed. In the first case, the fuel compacts became degraded and were removed from the fuel block, then deposited at the bottom of a horizontally placed canister, thereby simulating a drop event. The canister was considered to remain intact. In the second case, the spacing between horizontally placed canisters in a nine-canister overpack was reduced such that the canisters were piled on top of each other, simulating a drop event. For this case, no degradation of the canister internals or fuel was considered. For storage scenarios, the water moderator location in the system was varied to enable identification of the most reactive configurations. Dry and wet conditions were analyzed for the fuel materials, canister, and overpack. For disposal scenarios, two degradation cases were analyzed. In the first, the stainless-steel internals of the canister degraded to either hematite or goethite under both dry and wet conditions. In the second case, degraded FSV fuel formed a uranium-water slurry that filled the coolant/void holes. None of the cases presented exceeded the application specific upper subcritical limit.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Structural, Criticality, and Radiation Dose Calculations to Support SNF Loading into a DOE Standard Canister

The DOE Standard Canister Demonstration Project includes the development of an internal support structure (ISS) for the 4.6-m-long and 45.7-cm-diameter canister. This study presents structural evaluations, criticality safety assessments, and dose rate calculations conducted within the scope of the ISS design process to support smooth canister loading operations and to ensure safe storage, transportation, and disposal of Peach Bottom 1 Core II (PB2) and Fort St. Vrain (FSV) SNF, currently stored at INL’s CPP-603 facility. The ISS includes a 316L stainless-steel basket that holds 12 PB2 SNF rods. The PB2 basket rests on top of six individual, 78.7-cm-long, 316L stainless-steel columns that are equally spaced and welded to the inner canister wall at the lower end of the shell. These columns represent the FSV basket and can hold one FSV SNF element. An A92014 T6 aluminum spacer disc is bolted to the bottom plate of the PB2 basket to vertically restrain the FSV SNF element after the PB2 basket is placed inside the canister above the FSV basket. The structural evaluations of the ISS followed applicable ASME BPVC.III.3 guidelines and included finite element (FE) analyses of the PB2 basket structure; analyses of welds and bolds; buckling analyses of selected components, and acceptability assessments of the expected basket deformations under loading operations. The criticality safety assessments used the Monte Carlo N-Particle (MCNP) software architecture Version 6.2, including ENDF/B-V continuous-energy cross-section libraries, considering intact SNF in a single storage overpack or two multistorage overpack configurations and intact or failed SNF configured for disposal. The dose rate computations are based on source terms taken from the DOE Spent Fuel Database. The isotopic composition was decay corrected for the year 2022 using the ORIGEN module in the SCALE suite. A 19-group photon spectrum and a 27-group neutron-source spectrum were generated and used in MCNP to calculate estimated dose-equivalent rates, both on DOE Standard Canister contact and at a radial distance of 1 m from the canister surface. The results of this study indicate a structurally sound system that can uphold its criticality safety functions throughout its intended operational phases. Furthermore, this study provides confidence that sufficient radiological protection is technically achievable.

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

Structural, Criticality, and Radiation Dose Calculations to support SNF Loading into a DOE Standard Canister

The DOE Standard Canister Demonstration Project includes the development of an internal support structure (ISS) for the 4.6-m long and 45.7-cm diameter canister. This study presents structural evaluations, criticality safety assessments, and dose rate calculations conducted within the scope of the ISS design process to support smooth canister loading operations and to ensure safe storage, transportation, and disposal of Peach Bottom 1 Core II (PB2) and Fort St. Vrain (FSV) SNF, currently stored at the CPP-603 facility of the INL. The ISS includes a 316L stainless steel basket that holds twelve PB2 SNF rods. Further, six individual, 78.7-cm long, 316L stainless steel columns are equally spaced and welded to the inner canister wall at the lower end of the shell. These columns represent the FSV basket and can hold one FSV SNF element. An A92014 T6 aluminum spacer disc is bolted to the bottom plate of the PB2 basket to vertically restrain the FSV SNF element after the PB2 basket is placed inside the canister on top of the FSV basket. The structural evaluations of the ISS followed applicable ASME BPVC.III.3 guidelines and included finite element (FE) analyses of the PB2 basket structure; analyses of welds and bolds; buckling analyses of selected components, and acceptability assessments of the expected basket deformations under loading operations. The criticality safety assessments used the Monte Carlo N-Particle (MCNP) software architecture version 6.2 including ENDF/B-V continuous energy cross-section libraries, considering intact SNF in a single storage overpack or two multi-storage overpack configurations, and intact or failed SNF configured for disposal. The dose rate computations are based on source terms taken from the DOE Spent Fuel Database. The isotopic composition was decay corrected for the year 2022 using the ORIGEN module in the SCALE suite. A 19-group photon spectrum and 27-group neutron-source spectra were generated and used in MCNP to calculate estimated dose-equivalent rates, both on DOE Standard Canister contact and at a radial distance of from the canister surface. The results of this study indicate a structurally sound system that can uphold its criticality safety functions throughout its intended operational phases. Further, they increase confidence that sufficient radiological protection is technically achievable.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2017

High-resolution ultrahigh-pressure long column reversed-phase liquid chromatography for top-down proteomics

We report development of an approach providing high-resolution RPLC of proteins and its utility for mass spectrometry-based top-down proteomics. A chromatographic peak capacity of ~450 was achieved for proteins and large polypeptides having MWs up to 43 kDa in the context of proteomics applications. RPLC column lengths from 20 to 200 cm, particle sizes from 1.5 to 5 m, bonding alkyl chains from C1 to C2, C4, C8, and C18, and particle surface structures that spanned porous, superficially porous (porous shell, core-shell), and nonporous were investigated at pressures up to14K psi. Column length was found as the most important factor for >20 kDa proteins in gradient RPLC, and shortening column length degraded RPLC resolution and sensitivity regardless of the size and surface structure of the packing particles used. The alkyl chains bonded to the silica particle surface significantly affected the RPLC recovery and efficiency, and short alkyl C1-C4 phases provided higher sensitivity and resolution than C8 and C18 phases. Long gradient separations (e.g., >10 hours) with long columns (e.g., 100 cm) were particularly effective in conjunction with use of high accuracy mass spectrometers (e.g., the Orbitrap Elite) for top-down proteomics with improved proteoform coverage by allowing multiple HCD, CID, and ETD dissociation modes. It was also found that HCD produced small fragments useful for proteoform identification, while low energy CID and ETD often complemented HCD by providing large fragments.

columns and stationary phases↗
DOE OSTI2024

Changes in environmental and engineered conditions alter the plasma membrane lipidome of fractured shale bacteria

ABSTRACT Microorganisms that persist in fractured shale reservoirs cause several problems including secreting foul gases and forming biofilms. Current biocontrol measures often fail due to limited knowledge of their in situ activities. The plasma membrane protects the cell, mediates many of its critical functions, and responds to intracellular cues and ecological perturbations through physicochemical modifications. As such, it provides valuable insight into the physiological adaptation of microorganisms in disturbed environmental systems. Here, we (i) demonstrate how changes in salinity and hydraulic retention time (HRT) influence the plasma membrane intact polar lipid (IPL) chemistry of model bacterium, Halanaerobium congolense WG10, and mixed microbial consortia enriched from shale-produced fluids and (ii) elucidate adjustments in membrane IPL chemistry during biofilm growth relative to planktonic cells. We incubated H. congolense WG10 in chemostats under three salinities (7%, 13%, and 20% NaCl), operated under three HRTs (19.2, 24, and 48 h), and in drip flow biofilm reactors under the same salinity gradients. Also, mixed microbial consortia in produced fluids were enriched in triplicate chemostat vessels under three HRTs (19.2, 24, and 72 h) and biofilm reactors. Lipids were analyzed by ultra high performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS). Our results show that phosphatidylglycerols, cardiolipins, and phosphatidylethanolamines were predominantly enriched in planktonic H. congolense WG10 cells grown at hypersalinity (20%) compared to optimum (13%). In addition, several zwitterionic phosphatidylcholines and phosphatidylethanolamines were higher in abundance during biofilm growth. These observations suggest that microbial adaptation and biofilm formation in fractured shale are enabled by strategic plasma membrane IPL chemistry adjustments. IMPORTANCE Microorganisms inadvertently introduced into the shale reservoir during fracturing face multiple stressors including brine-level salinities and starvation. However, some anaerobic halotolerant bacteria adapt and persist for long periods of time. They produce hydrogen sulfide, which sours the reservoir and corrodes engineering infrastructure. In addition, they form biofilms on rock matrices, which decrease shale permeability and clog fracture networks. These reduce well productivity and increase extraction costs. Under stress, microbes remodel their plasma membrane to optimize its roles in protection and mediating cellular processes such as signaling, transport, and energy metabolism. Hence, by observing changes in the membrane lipidome of model shale bacteria, Halanaerobium congolense WG10, and mixed consortia enriched from produced fluids under varying subsurface conditions and growth modes, we provide insight that advances our knowledge of the fractured shale biosystem. We also offer data-driven recommendations for improving biocontrol efficacy and the efficiency of energy recovery from unconventional formations.

03 NATURAL GAS↗
DOE OSTI2023

Utah FORGE Core Material Friction Experiments

The following folders contain 3 friction experiments on Utah FORGE core material from depths of 6735 - 8533ft. The experiment conditions range from 100% relative humidity at room temperature to fluid-saturated at 110C. Experiments were done on both intact samples in a single-direct shear configuration, double-direct shear, and gouge.

15 GEOTHERMAL ENERGY↗
DOE OSTI2014

Inter-species interconnections in acid mine drainage microbial communities

Metagenomic studies are revolutionizing our understanding of microbes in the biosphere. They have uncovered numerous proteins of unknown function in tens of essentially unstudied lineages that lack cultivated representatives. Notably, few of these microorganisms have been visualized, and even fewer have been described ultra-structurally in their essentially intact, physiologically relevant states. Here, we present cryogenic transmission electron microscope (cryo-TEM) 2D images and 3D tomographic datasets for archaeal species from natural acid mine drainage (AMD) microbial communities. Ultrastructural findings indicate the importance of microbial interconnectedness via a range of mechanisms, including direct cytoplasmic bridges and pervasive pili. The data also suggest a variety of biological structures associated with cell-cell interfaces that lack explanation. Some may play roles in inter-species interactions. Interdependences amongst the archaea may have confounded prior isolation efforts. Overall, the findings underline knowledge gaps related to archaeal cell components and highlight the likely importance of co-evolution in shaping microbial lineages.

Thermoplasmatales↗
DOE OSTI2015

Global patterns and controls of soil organic carbon dynamics as simulated by multiple terrestrial biosphere models. Current status and future directions

Soil is the largest organic carbon (C) pool of terrestrial ecosystems, and loss from soil accounts for a large pro portion of land-atmosphere C exchange. Due to large pool size and variable residence time from years to millennia, even small changes in soil organic C(SOC) have substantial effects on the terrestrial C budget, thereby affecting atmospheric carbon dioxide (CO2)concentration and climate change. In the past decades, a wide variety of studies have been conducted to quantify global SOC stocks and soil exchange with the atmosphere through site measurements, inventories, and empirical/process-based modeling. However, these estimates are highly uncertain and identifying major driving forces controlling soil C storage and fluxes remains a key research challenge his study has compiled century-long (1901-2010)estimates of SOC storage and heterotrophic respiration (Rh) from ten terrestrial biosphere models (TBMs) in the Multi-scale Synthesis and Terrestrial Model Intercomparison Project (MsTMIP) and two observation based datasets. The ten-TBM ensemble shows that global SOC estimate range from 4 to 2111 Pg C (1 Pg = 10 15 g) with a median value of 1158 Pg C33 in 2010. Modeling approach estimates a broad range of Rh from 35 to 69 Pg C yr -1 with a median value of 51Pg C yr -1 during 200–2010. The largest uncertainty in SOC stocks exists in the 40–65°N latitude band while Rh differences are the largest in the tropics. All the models agreed that climate and land use changes have decreased SOC stocks while elevated CO 2 and atmospheric nitrogen deposition have increased SOC stocks though the response varied significantly among models. Model representations of temperature and moisture sensitivity,nutrient limitation and land use partially explain the divergent estimates of global SOC stocks and soil fluxes in this study. In addition, major sources of uncertainty from model estimation include exclusion of SOC storage in wetlands and peatlands as well as C storage in deep soil layers.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Submarine record of volcanic island construction and collapse in the Lesser Antilles arc: First scientific drilling of submarine volcanic island landslides by IODPExpedition 340

IODP Expedition 340 successfully drilled a series of sites offshore Montserrat, Martinique and Dominica in the Lesser Antilles from March to April 2012. These are among the few drill sites gathered around volcanic islands, and the first scientific drilling of large and likely tsunamigenic volcanic island-arc landslide deposits. These cores provide evidence and tests of previous hypotheses for the composition and origin of those deposits. Sites U1394, U1399, and U1400 that penetrated landslide deposits recovered exclusively seafloor sediment, comprising mainly turbidites and hemipelagic deposits, and lacked debris avalanche deposits. This supports the concepts that i/ volcanic debris avalanches tend to stop at the slope break, and ii/ widespread and voluminous failures of preexisting low-gradient seafloor sediment can be triggered by initial emplacement of material from the volcano. Offshore Martinique (U1399 and 1400), the landslide deposits comprised blocks of parallel strata that were tilted or microfaulted, sometimes separated by intervals of homogenized sediment (intense shearing), while Site U1394 offshore Montserrat penetrated a flat-lying block of intact strata. The most likely mechanism for generating these large-scale seafloor sediment failures appears to be propagation of a decollement from proximal areas loaded and incised by a volcanic debris avalanche. These results have implications for the magnitude of tsunami generation. Under some conditions, volcanic island landslide deposits composed of mainly seafloor sediment will tend to form smaller magnitude tsunamis than equivalent volumes of subaerial block-rich mass flows rapidly entering water. Expedition 340 also successfully drilled sites to access the undisturbed record of eruption fallout layers intercalated with marine sediment which provide an outstanding high-resolution data set to analyze eruption and landslides cycles, improve understanding of magmatic evolution as well as offshore sedimentation processes.

58 GEOSCIENCES↗
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 OSTI2015

Effects of simulated spring thaw of permafrost from mineral cryosol on CO 2 emissions and atmospheric CH 4 uptake

Abstract Previous studies investigating organic‐rich tundra have reported that increasing biodegradation of Arctic tundra soil organic carbon (SOC) under warming climate regimes will cause increasing CO 2 and CH 4 emissions. Organic‐poor, mineral cryosols, which comprise 87% of Arctic tundra, are not as well characterized. This study examined biogeochemical processes of 1 m long intact mineral cryosol cores (1–6% SOC) collected in the Canadian high Arctic. Vertical profiles of gaseous and aqueous chemistry and microbial composition were related to surface CO 2 and CH 4 fluxes during a simulated spring/summer thaw under light versus dark and in situ versus water saturated treatments. CO 2 fluxes attained 0.8 ± 0.4 mmol CO 2 m −2 h −1 for in situ treatments, of which 85 ± 11% was produced by aerobic SOC oxidation, consistent with field observations and metagenomic analyses indicating aerobic heterotrophs were the dominant phylotypes. The Q 10 values of CO 2 emissions ranged from 2 to 4 over the course of thawing. CH 4 degassing occurred during initial thaw; however, all cores were CH 4 sinks at atmospheric concentration CH 4 . Atmospheric CH 4 uptake rates ranged from −126 ± 77 to −207 ± 7 nmol CH 4 m −2 h −1 with CH 4 consumed between 0 and 35 cm depth. Metagenomic and gas chemistry analyses revealed that high‐affinity Type II methanotrophic sequence abundance and activity were highest between 0 and 35 cm depth. Microbial sulfate reduction dominated the anaerobic processes, outcompeting methanogenesis for H 2 and acetate. Fluxes, microbial community composition, and biogeochemical rates indicate that mineral cryosols of Axel Heiberg Island act as net CO 2 sources and atmospheric CH 4 sinks during summertime thaw under both in situ and water saturated states.

Stackhouse, Brandon T.↗
DOE OSTI2016

Excavating Stickney crater at Phobos

Stickney crater, at 9 km across, dominates the morphology of ~22 km Phobos, the larger of the two moons of Mars. The Stickney impact event had global repercussions for Phobos, including extensive resurfacing and fracturing of the moon. Understanding the initial conditions and dynamical consequences of the collision is necessary to test competing hypotheses for the origin of peculiar grooved terrain that striates much of the surface. Previous modeling of the impact event was unable to replicate Stickney without globally fragmenting the satellite. We also describe high-resolution numerical simulations that successfully generate Stickney crater while maintaining the large-scale structure of Phobos. Target porosity, which is estimated to be significant, aids in keeping the moon intact. Damage follows patterns centered on Stickney that are inconsistent with the observed alignment of grooved terrain on Phobos. We ejected low-velocity boulders at shallow angles in sufficient numbers to support a rolling-boulder origin for grooved terrain.

58 GEOSCIENCES↗
DOE OSTI2016

High-stress triaxial direct-shear fracturing of Utica shale and in situ X-ray microtomography with permeability measurement

The challenge of characterizing subsurface fluid flow has motivated extensive laboratory studies, yet fluid flow through rock specimens in which fractures are created and maintained at high-stress conditions remains underinvestigated at this time. The studies of this type that do exist do not include in situ fracture geometry measurements acquired at stressed conditions, which would be beneficial for interpreting the flow behavior. Therefore, this study investigates the apparent permeability induced by direct-shear fracture stimulation through Utica shale (a shale gas resource and potential caprock material) at high triaxial stress confinement and for the first time relates these values to simultaneously acquired in situ X-ray radiography and microtomography images. Change in fracture geometry and apparent permeability was also investigated at additional reduced stress states. Finite element and combined finite-discrete element modeling were used to evaluate the in situ observed fracturing process. Results from this study indicate that the increase in apparent permeability through fractures created at high-stress (22.2 MPa) was minimal relative to the intact rock (less than 1 order of magnitude increase), while fractures created at low stress (3.4 MPa) were significantly more permeable (2 to 4 orders of magnitude increase). Here, this study demonstrates the benefit of in situ X-ray observation coupled with apparent permeability measurement to analyze fracture creation in the subsurface. Our results show that the permeability induced by fractures through shale at high stress can be minor and therefore favorable in application to CO 2 sequestration caprock integrity but unfavorable for hydrocarbon recovery from unconventional reservoirs.

58 GEOSCIENCES↗
DOE OSTI2017

Dynamics of the Bingham Canyon rock avalanches (Utah, USA) resolved from topographic, seismic, and infrasound data: Bingham Canyon Rock Avalanches

The 2013 Bingham Canyon Mine rock avalanches represent one of the largest cumulative landslide events in recorded U.S. history and provide a unique opportunity to test remote analysis techniques for landslide characterization. We combine aerial photogrammetry surveying, topographic reconstruction, numerical runout modeling, and analysis of broadband seismic and infrasound data to extract salient details of the dynamics and evolution of the multiphase landslide event. Our results reveal a cumulative intact rock source volume of 52 Mm 3 , which mobilized in two main rock avalanche phases separated by 1.5 h. We estimate that the first rock avalanche had 1.5–2 times greater volume than the second. Each failure initiated by sliding along a gently dipping (21°), highly persistent basal fault before transitioning to a rock avalanche and spilling into the inner pit. The trajectory and duration of the two rock avalanches were reconstructed using runout modeling and independent force history inversion of intermediate-period (10–50 s) seismic data. Intermediate- and shorter-period (1–50 s) seismic data were sensitive to intervals of mass redirection and constrained finer details of the individual slide dynamics. Back projecting short-period (0.2–1 s) seismic energy, we located the two rock avalanches within 2 and 4 km of the mine. Further analysis of infrasound and seismic data revealed that the cumulative event included an additional 11 smaller landslides (volumes ~10 4 –10 5 m 3 ) and that a trailing signal following the second rock avalanche may result from an air-coupled Rayleigh wave. These results demonstrate new and refined techniques for detailed remote characterization of the dynamics and evolution of large landslides.

58 GEOSCIENCES↗
DOE OSTI2017

Permeability, porosity, and mineral surface area changes in basalt cores induced by reactive transport of CO 2 -rich brine

Four reactive flow–through laboratory experiments (two each at 0.1 mL/min and 0.01 mL/min flow rates) at 150°C and 150 bar (15 MPa) are conducted on intact basalt cores to assess changes in porosity, permeability, and surface area caused by CO 2 –rich fluid–rock interaction. Permeability decreases slightly during the lower flow rate experiments and increases during the higher flow rate experiments. At the higher flow rate, core permeability increases by more than one order of magnitude in one experiment and less than a factor of two in the other due to differences in preexisting flow path structure. X–ray computed tomography (XRCT) scans of pre– and post–experiment cores identify both mineral dissolution and secondary mineralization, with a net decrease in XRCT porosity of ~0.7%–0.8% for the larger pores in all four cores. (Ultra) small–angle neutron scattering ((U)SANS) data sets indicate an increase in both (U)SANS porosity and specific surface area (SSA) over the ~1 nm to 10 µm scale range in post–experiment basalt samples, with differences due to flow rate and reaction time. Net porosity increases from summing porosity changes from XRCT and (U)SANS analyses are consistent with core mass decreases. (U)SANS data suggest an overall preservation of the pore structure with no change in mineral surface roughness from reaction, and the pore structure is unique in comparison to previously published basalt analyses. Altogether, these data sets illustrate changes in physical parameters that arise due to fluid–basalt interaction in relatively low pH environments with elevated CO 2 concentration, with significant implications for flow, transport, and reaction through geologic formations.

(ultra) small‐angle neutron scattering ((U)SANS)↗
DOE OSTI2016

The structure of Toho1 β‐lactamase in complex with penicillin reveals the role of Tyr105 in substrate recognition

The role of the conserved residue Tyr105 in class A β‐lactamases has been the subject of investigation using both structural studies and saturation mutagenesis. Both have shown that while it does not need to be strictly conserved for activity, it is important for substrate recognition. With this in mind we determined the crystal structure of Toho1 β‐lactamase at 15 K to 1.10 Å resolution in complex with penicillin. As expected a ring‐opened penicillin molecule bound to Ser70 the catalytic nucleophile, can clearly be seen in electron density in the active site. In addition to the trapped penicillin, however, are two additional intact ring‐closed penicillin molecules, captured by the enzyme through noncovalent interactions at the edge of the active site.

Biochemistry & Molecular Biology↗