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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming

The project Site Characterization of the Highest-Priority Geologic Formations for CO2 Storage in Wyoming is one of 9 site characterization projects that were implemented as part of ARRA (American Recovery and Reinvestment Act). Data from this project was used to improve resolution of data in NATCARB in the area of study. Data related to this study has already been incorporated in NATCARB Atlas. The Wyoming Carbon Underground Storage Project (WY-CUSP) consisted of CO2 storage site characterization and evaluation, focusing on Wyoming’s most promising CO2 storage reservoirs (the Pennsylvanian Weber/Tensleep Sandstone and Mississippian Madison Limestone) and premier CO2 storage site (Rock Springs Uplift). Results from the WY-CUSP project suggest the two reservoirs could store up to 17,000 million tons of CO2. The WY-CUSP team drilled a stratigraphic test well and acquired a 3-D seismic survey covering 25 square miles of the Rock Springs Uplift site. The team retrieved 916 feet of core from the 12,810-foot-deep well, along with a complete log suite, borehole images, fluid samples, and other data. Project partners (1) provided continuous visual documentation of the core, including grain size, mineralogy, facies distribution, and porosity; (2) performed continuous permeability and velocity scans of selected reservoir intervals; and (3) chemically analyzed the fluid samples. WY-CUSP scientists integrated seismic attributes with observations from log suites, a VSP survey, core, fluid samples, and laboratory analyses, including continuous permeability scans. From these integrations, researchers constructed 3-D spatial distribution volumes of reservoir and seal properties that represent geological heterogeneity at the targeted CO2 storage site. The WY-CUSP team used this data to perform new CO2 plume migration simulations. Baker Hughes, Inc., completed a series of small-scale, in-situ water injectivity measurements. A database was formed when observations, analyses, and experiments from the stratigraphic test well were integrated. Correlation of these data allowed petrophysical parameters to be extrapolated from the test well out into the storage domain (5x5 mile 3-D seismic survey volume). This resulted in an improved, realistic understanding of performance assessments for potential CO2 storage scenarios. The WY-CUSP team worked on (1) improving CO2 storage resource estimates, (2) establishing long-term integrity and permanence of confining layers, (3) designing a profitable strategy for pressure management, and (4) evaluating the utilization of stored CO2 at the Rock Spring Uplift. Finally, Baker Hughes developed a microseismic baseline for the test site using in-bore geophones to complete field operations.

3-D seismic↗
DOE OSTI2021

Salt Vessel-Sample Generator Interface

The goal of the salt sampling program at Argonne is to develop and deploy automated molten salt sampling approaches for interfacing relevant unit operations with salt analysis to improve the timeliness and accuracy of sampling-based accountancy measurements. One technology under development is a vacuum sampler loop module. In this system, molten salt is drawn from a process vessel through a heated sampling line and into a charge vessel. Next, one or more samples are split from the volume in the charge vessel and the remaining salt is returned to the process. The vacuum sampler loop module is being developed to interface with other sample processing and analysis modules to enable rapid at-line sample characterization. The main purpose of the vacuum sampling loop module is to enable the collection of samples that are more representative of the bulk salt by replacing traditional point samplers (i.e., dip probes) with a sampling approach that captures a larger cross section of salt. Additionally, the vacuum sampling approach eliminates the risk of dross contamination of samples and avoids the use of moving parts in the salt. Two methods of interfacing the vacuum sampling loop with a precision pneumatic sample generator were investigated in FY21. This report covers the testing of fluidic coupling between the two modules. Two iterations of the fluidically coupled modules were tested. The first iteration system coupled the two modules using a freeze valve to seal the vacuum sampler during filling and to control flow into the pneumatic sample generator. While this integrated system functioned as intended, some changes were implemented to make the system more robust and better suited to remote deployment. Specifically, the system was made to be more modular and active control of the vacuum filling operation was replaced with a passive control mechanism. For passive filling, the salt charge vessel was vented to a small gas tank that was at negative pressure, causing salt to be drawn into the vessel until the force of the fluid head was in equilibrium with the gas pressure. The passive control system performed well and will be used in future iterations. Another change in the second system was a newly configured pneumatic sample generator in which sample ejection occurred through a hole in the reservoir’s stainless-steel side wall instead of through a non-wetted sapphire orifice on the bottom. This alternate configuration may be better suited for near-process deployment because it enables on-line orifice maintenance and an orifice bypass drain back to the process. A third change in the second iteration system was the transition to a two-chamber charge vessel which split off a fraction of the sampled salt as a liquid aliquot. The goal was to create a buffer mechanism that would allow reproducible aliquoting of samples, independently of variability in the charge vessel fill height. While the two-chamber design was functional, the sample size reproducibility was below target values. To improve reproducibility and overcome many of the impediments to remote deployment of the vacuum sampling loop module, separate work was conducted to replace the two-chamber liquid aliquoting mechanism with aliquoting into single-use sample tubes. Solid salt transfer in the sample tubes will replace fluidic coupling for integrating the vacuum sampler with downstream modules. Because the proposed operations can all be executed with simple overhead actuation mechanisms or other existing hot-cell technology, there will be no need for large investments in novel hot cell sample handling technologies using this alternate approach. As such, near-term deployment of the vacuum sampling technology will be achievable. This new approach for automated coupling of sample tubes with down-stream modules is covered in a separate FY21 report, and a remotely operated version of the vacuum sampler loop module with the tube aliquoting feature is planned for FY22.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Stochastic evaluation of four-component relativistic second-order many-body perturbation energies: A potentially quadratic-scaling correlation method

A second-order many-body perturbation correction to the relativistic Dirac-Hartree-Fock energy is evaluated stochastically by integrating 13-dimensional products of four-component spinors and Coulomb potentials. The integration in the real space of electron coordinates is carried out by the Monte Carlo (MC) method with the Metropolis sampling, whereas the MC integration in the imaginary-time domain is performed by the inverse-CDF (cumulative distribution function) method. The computational cost to reach a given relative statistical error for spatially compact but heavy molecules is observed to be no worse than cubic and possibly quadratic with the number of electrons or basis functions. This is a vast improvement over the quintic scaling of the conventional, deterministic second-order many-body perturbation method. The algorithm is also easily and efficiently parallelized with demonstrated 92% strong scalability going from 64 to 4096 processors for a fixed job size.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS2014

Report of the Workshop for Life Detection in Samples from Mars

The question of whether there is or was life on Mars has been one of the most pivotal since Schiaparellis' telescopic observations of the red planet. With the advent of the space age, this question can be addressed directly by exploring the surface of Mars and by bringing samples to Earth for analysis. The latter, however, is not free of problems. Life can be found virtually everywhere on Earth. Hence the potential for contaminating the Mars samples and compromising their scientific integrity is not negligible. Conversely, if life is present in samples from Mars, this may represent a potential source of extraterrestrial biological contamination for Earth. A range of measures and policies, collectively termed 'planetary protection', are employed to minimise risks and thereby prevent undesirable consequences for the terrestrial biosphere. This report documents discussions and conclusions from a workshop held in 2012, which followed a public conference focused on current capabilities for performing life-detection studies on Mars samples. The workshop focused on the evaluation of Mars samples that would maximise scientific productivity and inform decision making in the context of planetary protection. Workshop participants developed a strong consensus that the same measurements could be employed to effectively inform both science and planetary protection, when applied in the context of two competing hypotheses: 1) that there is no detectable life in the samples; or 2) that there is martian life in the samples. Participants then outlined a sequence for sample processing and defined analytical methods that would test these hypotheses. They also identified critical developments to enable the analysis of samples from Mars.

Life Detection↗
DOE OSTI2018

Highly simplified lateral flow-based nucleic acid sample preparation and passive fluid flow control

Highly simplified lateral flow chromatographic nucleic acid sample preparation methods, devices, and integrated systems are provided for the efficient concentration of trace samples and the removal of nucleic acid amplification inhibitors. Methods for capturing and reducing inhibitors of nucleic acid amplification reactions, such as humic acid, using polyvinylpyrrolidone treated elements of the lateral flow device are also provided. Further provided are passive fluid control methods and systems for use in lateral flow assays.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1978

A comparative study of Conroy and Monte Carlo methods applied to multiple quadratures and multiple scattering

An efficient numerical method of multiple quadratures, the Conroy method, is applied to the problem of computing multiple scattering contributions in the radiative transfer through realistic planetary atmospheres. A brief error analysis of the method is given and comparisons are drawn with the more familiar Monte Carlo method. Both methods are stochastic problem-solving models of a physical or mathematical process and utilize the sampling scheme for points distributed over a definite region. In the Monte Carlo scheme the sample points are distributed randomly over the integration region. In the Conroy method, the sample points are distributed systematically, such that the point distribution forms a unique, closed, symmetrical pattern which effectively fills the region of the multidimensional integration. The methods are illustrated by two simple examples: one, of multidimensional integration involving two independent variables, and the other, of computing the second order scattering contribution to the sky radiance.

Deepak, A.↗
DOE OSTI2021

Towards a Robust Sampling Approach: A Computational Review and Design

As pointed out in several other works, the estimation of the reliability of the electrical grid can not be conducted without the estimation of the stochastic phenomena of electicity demand and electricity production by variable renewable sources. Therefore, sampling procedures have become integral in the design of engineering structures and analysis. Commonly referred to as Monte Carlo uncertainty analysis or integration, the general objective of these procedures is to establish specifics about the uncertainty of an output characteristic of such an engineering system, given uncertainty about its input characteristics. These sampling procedures are applied in a context in which establishing such specifics cannot be performed through other means. Variance-reduction techniques are designed to lessen the variability among estimators to estimate statistics of those output uncertainties. Importance-sampling techniques, on the other hand, are designed to reduce the number of samples needed to estimate a particular statistic—e.g., a tail probability. The combination of these approaches can reduce the computational burden considerably for a particular estimator and statistic. Importance sampling—geared and designed as it is toward improving a particular estimator—suffers, unfortunately, from the unintended consequence of reducing the performance of other estimators in terms of their variance. The objective of this paper is to offer an alternative sampling procedure where this variance does not grow unacceptably large for a suite of estimators. Moreover, it is anticipated that, with additional knowledge of how an engineering output characteristic responds to its input characteristics, tuning parameters of the input’s sampling procedure can be set to improve the output characteristic’s estimation. This work proves the effectiveness of the suggested alternative approach. Such positive outcome will lead to a decrease of the computational burden of performing stochastic optimization of integrated energy systems (e.g., components dispatch, and portfolio composition). In particular, capturing the contribution to the overall system cost of rare and unlikely events and patterns of the electricity demand and production will become less computationally expensive. This is due to the fact that the approach demonstrated here will allow the sampling of those rare occurrences more frequently without misrepresenting their probabilistic impacts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRSDate not supplied

Heating and Sampling Efficiency Evaluation for the Nephele Venus Cloud Sampling Mission Concept

Nephele is a descent probe concept with a unique combination of entry (3D-CC+HEEET), sampling (flow-through passive impactors), and optics (laser-induced breakdown spectroscopy, or LIBS, and surface-enhanced Raman spectroscopy, or SERS), technologies with two key innovations. The first is the integration of the aerosol sampling inlet into the aeroshell body, allowing the possibility of sampling during passive descent without separation. The second is the use of the aerosol capture surface as an optical analysis substrate, allowing fast-cadence aerosol analysis via a dual optical spectrometer instead of mass spectrometry. Although this concept shares some features with other efforts such as Cupid’s Arrow (single-body sample capture system), DAVINCI and Venera-D (use of an optical spectrometer), Nephele is unique in its physical integration of the sonde body, aerosol and gas sampler, and analysis instrumentation. This innovation is designed to eliminate the need for a controlled descent to achieve a detailed atmospheric aerosol transect, which offers in situ planetary science in a small spacecraft envelope. Aeroshell designs with inlets for free-falling sondes are well-understood, though not yet assessed for aerosol capture efficiency. A HEEET aeroshell with a specialized nose inlet material comprised of Carbon-Carbon is proposed for this mission concept.

Venus↗
NASA NTRSDate not supplied

Heating and Sampling Efficiency Evaluation for the Nephele Venus Cloud Sampling Mission Concept

Nephele [1] is a descent probe concept with a unique combination of entry (3D-CC+HEEET), sampling (flow-through passive impactors), and optics (laser-induced breakdown spectroscopy, or LIBS, and surface-enhanced Raman spectroscopy, or SERS), technologies with two key innovations (Figure 1). The first is the integration of the aerosol sampling inlet into the aeroshell body, allowing the possibility of sampling during passive descent without separation. The second is the use of the aerosol capture surface as an optical analysis substrate, allowing fast-cadence aerosol analysis via a dual optical spectrometer instead of mass spectrometry. Although this concept shares some features with other efforts such as Cupid’s Arrow [1] (single-body sample capture system), DAVINCI [2] and Venera-D [3] (use of an optical spectrometer), Nephele is unique in its physical integration of the sonde body, aerosol and gas sampler, and analysis instrumentation. This innovation is designed to eliminate the need for a controlled descent to achieve a detailed atmospheric aerosol transect, which offers in situ planetary science in a small spacecraft envelope. Aeroshell designs with inlets for free-falling sondes are well-understood, though not yet assessed for aerosol capture efficiency. A HEEET aeroshell with a specialized nose inlet material comprised of Carbon-Carbon is proposed for this mission concept.

Venus↗
NASA NTRS1989

Robotic sampling system for an unmanned Mars mission

A major robotics opportunity for NASA will be the Mars Rover/Sample Return Mission which could be launched as early as the 1990s. The exploratory portion of this mission will include two autonomous subsystems: the rover vehicle and a sample handling system. The sample handling system is the key to the process of collecting Martian soils. This system could include a core drill, a general-purpose manipulator, tools, containers, a return canister, certification hardware and a labeling system. Integrated into a functional package, the sample handling system is analogous to a complex robotic workcell. Discussed here are the different components of the system, their interfaces, forseeable problem areas and many options based on the scientific goals of the mission. The various interfaces in the sample handling process (component to component and handling system to rover) will be a major engineering effort. Two critical evaluation criteria that will be imposed on the system are flexibility and reliability. It needs to be flexible enough to adapt to different scenarios and environments and acquire the most desirable specimens for return to Earth. Scientists may decide to change the distribution and ratio of core samples to rock samples in the canister. The long distance and duration of this planetary mission places a reliability burden on the hardware. The communication time delay between Earth and Mars minimizes operator interaction (teleoperation, supervisory modes) with the sample handler. An intelligent system will be required to plan the actions, make sample choices, interpret sensor inputs, and query unknown surroundings. A combination of autonomous functions and supervised movements will be integrated into the sample handling system.

Chun, Wendell↗
DOE OSTI2019

Water and Ammonia Desorption from 5A Zeolite

The objective of this project is to demonstrate the adsorption and desorption characteristics of water and ammonia on 5A zeolite during regeneration conditions. As discussed in literature, zeolite material is a crystalline hydrated aluminosilicate material. Zeolites have high cation exchange ability and are commonly used as adsorbents in separation and purification processes. The property of uniformly sized pores allows zeolites to selectively separate gases. Because they have varying ion selectivity, there is competitive adsorption in a multicomponent mixture. 5A zeolite has a uniform pore diameter of 5 Angstroms. Water and ammonia are miscible components with similar molecular weights and size. This makes distinguishing the two compounds difficult using mass spectrometry. In a previous study, it was shown that water tends to desorb from 5A zeolite from 40 deg. C to 353 deg. C with peaks at 177 deg. C and 244 deg. C, while ammonia tends to desorb from 300 deg. C to 580 deg. C with a peak at 436 deg. C as determined using a Micromeritics AutoChem 2920 Instrument. The one drawback of using a Micromeritics Instrument is that only a few milligrams of sample material can be used. Bench scale tests can better demonstrate desorption characteristics of water and ammonia during regeneration from 5A zeolite material. Water in argon carrier gas and ammonia in hydrogen carrier gas will be tested separately, then a mixture of the two will be tested. Initial bake-out conditions: hydrogen carrier gas, slowly raise temp to approximately 450 deg. C until desired moisture content <100 ppm is achieved. Water loading: argon carrier gas through bubbler until breach is observed using the residual gas analyzer (RGA). Ammonia loading: hydrogen carrier gas through system until breach is observed using RGA. Regeneration conditions: hydrogen carrier gas, raise temp to approximately 300 deg. C, then slowly to 450 deg. C. Observe signals on RGA. Weigh samples between tests and integrate RGA signals. Accomplishments: Developed work control documentation and completed safety related requirements; Flow sheet and test system development; Initial bake-out of first sample. Testing will determine if regenerating zeolite material can be safely accomplished by high-temperature bake-out to remove ammonia. If unsuccessful, ammonia would only be removed at the end of life.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Spectro-Microscopic Investigation of the Aerosol Impact on Hydrological Processes

This project investigated physico-chemical characteristics of atmospheric particles collected during DOE ARM field campaigns and how they are involved in the hydrological cycle. Our efforts were focused on multi-modal chemical imaging and molecular characterization of atmospheric particles and snow samples collected during the Surface-Atmosphere Integrated Field Laboratory (SAIL) campaign and particle samples from the Tracking Aerosol Convection Interactions ExpeRiment (TRACER) campaign.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2016

Extending the Reach of IGSN Beyond Earth: Implementing IGSN Registration to Link Nasa's Apollo Lunar Samples and Their Data

The rock and soil samples returned from the Apollo missions from 1969-72 have supported 46 years of research leading to advances in our understanding of the formation and evolution of the inner Solar System. NASA has been engaged in several initiatives that aim to restore, digitize, and make available to the public existing published and unpublished research data for the Apollo samples. One of these initiatives is a collaboration with IEDA (Interdisciplinary Earth Data Alliance) to develop MoonDB, a lunar geochemical database modeled after PetDB (Petrological Database of the Ocean Floor). In support of this initiative, NASA has adopted the use of IGSN (International Geo Sample Number) to generate persistent, unique identifiers for lunar samples that scientists can use when publishing research data. To facilitate the IGSN registration of the original 2,200 samples and over 120,000 subdivided samples, NASA has developed an application that retrieves sample metadata from the Lunar Curation Database and uses the SESAR API to automate the generation of IGSNs and registration of samples into SESAR (System for Earth Sample Registration). This presentation will describe the work done by NASA to map existing sample metadata to the IGSN metadata and integrate the IGSN registration process into the sample curation workflow, the lessons learned from this effort, and how this work can be extended in the future to help deal with the registration of large numbers of samples.

Todd, Nancy S.↗
NASA NTRS1984

Error-Compensated Integrate and Hold

Differencing circuit cancels error caused by switching transistors capacitance. In integrate and hold circuit using JFET switch, gate-to-source capacitance causes error in output voltage. Differential connection cancels out error. Applications in systems where very low voltages sampled or many integrate-and -hold cycles before circuit is reset.

Matlin, M.↗
NASA NTRS1993

Symmetric Galerkin boundary formulations employing curved elements

Accounts of the symmetric Galerkin approach to boundary element analysis (BEA) have recently been published. This paper attempts to add to the understanding of this method by addressing a series of fundamental issues associated with its potential computational efficiency. A new symmetric Galerkin theoretical formulation for both the (harmonic) heat conduction and the (biharmonic) elasticity problem that employs regularized singular and hypersingular boundary integral equations (BIEs) is presented. The novel use of regularized BIEs in the Galerkin context is shown to allow straightforward incorporation of curved, isoparametric elements. A symmetric reusable intrinsic sample point (RISP) numerical integration algorithm is shown to produce a Galerkin (i.e., double) integration strategy that is competitive with its counterpart (i.e., singular) integration procedure in the collocation BEA approach when the time saved in the symmetric equation solution phase is also taken into account. This new formulation is shown to be capable of employing hypersingular BIEs while obviating the requirement of C 1 continuity, a fact that allows the employment of the popular continuous element technology. The behavior of the symmetric Galerkin BEA method with regard to both direct and iterative equation solution operations is also addressed. A series of example problems are presented to quantify the performance of this symmetric approach, relative to the more conventional unsymmetric BEA, in terms of both accuracy and efficiency. It is concluded that appropriate implementations of the symmetric Galerkin approach to BEA indeed have the potential to be competitive with, if not superior to, collocation-based BEA, for large-scale problems.

Kane, J. H.↗
NASA NTRS2002

Dual Source Mass Spectrometer and Sample Handling System

We present details of a miniature integrated time-of-flight mass spectrometer and sample handling system under development to address some of the needs for in situ sample analysis on landed missions. Additional information is contained in the original extended abstract.

Brinckerhoff, W. B.↗
DOE OSTI2020

3D diffractive imaging of nanoparticle ensembles using an x-ray laser

Single particle imaging at x-ray free electron lasers (XFELs) has the potential to determine the structure and dynamics of single biomolecules at room temperature. Two major hurdles have prevented this potential from being reached, namely, the collection of sufficient high-quality diffraction patterns and robust computational purification to overcome structural heterogeneity. We report the breaking of both of these barriers using gold nanoparticle test samples, recording around 10 million diffraction patterns at the European XFEL and structurally and orientationally sorting the patterns to obtain better than 3-nm-resolution 3D reconstructions for each of four samples. With these new developments, integrating advancements in x-ray sources, fast-framing detectors, efficient sample delivery, and data analysis algorithms, we illuminate the path towards sub-nanometer biomolecular imaging. The methods developed here can also be extended to characterize ensembles that are inherently diverse to obtain their full structural landscape.

47 OTHER INSTRUMENTATION↗