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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Subtask 1.5 – CO2 Injection Monitoring with an Optimized Scalable, Automated, Semipermanent Seismic Array

The scalable, automated, semipermanent seismic array (SASSA) method is a flexible and relatively cost-effective surface geophysical method for regular time-lapse monitoring of the movement of injected carbon dioxide (CO2) in a reservoir for CO2 enhanced oil recovery (EOR) or geologic CO2 storage operations. It has the advantages of a low-environmental-footprint while monitoring regions of a reservoir from the surface without the need for a regular grid distribution of receivers. Automated data collection is possible. As only time-lapse amplitude changes at the reservoir level due to CO2 movement within the reservoir are monitored, the turnaround time to deliver results from the SASSA method can be short, without the need for long, time-consuming data-processing workflows. As data is collected and processed, incremental information can be provided to the field operator. The Energy & Environmental Research Center (EERC) conducted a SASSA field test from September 2018 to November 2020 in a portion of the Bell Creek Field in Montana, which implemented new CO2 EOR field activities during the study period. Lessons learned from a proof-of-concept study were incorporated to improve the data quality of the SASSA method and demonstrate the viability of the technology. The EERC implemented several enhancements to improve data quality, including 1) an iterative survey design, which allowed placing the receivers in strategic locations where the movement of the CO2 in the reservoir could be tracked with minimum interference by the cultural noise in the study area; 2) the use of powerful seismic sources in the form of surface orbital vibrators, and 3) data acquisition during optimal periods. History-matched reservoir simulation was performed to predict gas saturation and pressure response induced by CO2 injection in the study area. The results were compared with the SASSA-measured responses to CO2 injection as a partial validation technique. A match between the two methods was observed for most of the SASSA points predicted to have intersected a CO2 saturation change. The validated results provide confidence that the SASSA method can be used independently as a CO2 saturation monitoring technique. As data are collected and processed, incremental information can be provided to the field operator. The critical components of the SASSA workflow for a successful application of the method are the following: Iterative survey design with information about CO2 injection activities from the oilfield operator. A detailed CO2 injection plan is the key driver to select the strategic monitoring location of the SASSA sensors. After this information is incorporated in the initial distribution of sources and receivers in the study area, high-resolution satellite images are used to identify ground locations not affected by cultural noise sources, such as power lines, pipelines/flow lines, or roadways. In the next iteration of the survey design, a scouting trip to the study area is needed to understand more details of the noise sources identified in the previous step and the intensity of the field activities that can also generate noise during the monitoring. Integrating the information from the scouting trip into the survey design to select the optimum source and receiver locations is the final step. Noise attenuation. The variety of noise types during seismic monitoring of an oil field is enormous. Tailored noise characterization and processing at a node-by-node level can enhance the performance and sensitivity of the SASSA technique. Future advancements that could improve the efficiency and application of the SASSA technology include: Gaining a better understanding of the noise field produced by the seismic source to aid the choice of receiver location. Surface noise from the source can overwhelm the small signal changes due to CO2 that the SASSA method measures. Improved data-processing workflow to automatically analyze and adapt to dynamic noise conditions associated with industrial settings. This subtask was funded through the EERC–DOE Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE- FE0024233.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

Utilizing Temperature and Brine Inflow Measurements to Constrain Reservoir Parameters During a Salt Heater Test

Brine availability in salt has multiple implications for the safety and design of a nuclear waste storage facility. Brine availability includes both the distribution and transport of brine through a damaged zone around boreholes or drifts excavated into the salt. Coupled thermal, hydrological, mechanical, and chemical processes taking place within heated bedded salt are complex; as part of DECOVALEX 2023 Task E this study takes a parsimonious modeling approach utilizing analytical and numerical one-dimensional simulations to match field measurements of temperature and brine inflow around a heater. The one-dimensional modeling results presented arrive at best-fit thermal conductivity of intact salt, and the permeability and porosity of damaged salt of 5.74 W/m∙K, 10 –17 m 2 , and ≈ 0.02, respectively.

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

Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data

Incorporation of quantum mechanical electronic structure data is necessary to properly capture the physics of many chemical processes. Proton hopping in water, which involves rearrangement of chemical and hydrogen bonds, is one such example of an inherently quantum mechanical process. Standard ab initio molecular dynamics (AIMD) methods, however, do not yet accurately predict the structure of water and are therefore less than optimal for developing force fields. We have instead utilized here a recently developed method which minimally biases AIMD simulations to match limited experimental data to develop novel multiscale reactive molecular dynamics (MS-RMD) force fields by using relative entropy minimization. In this paper, we present two new MS-RMD models using such a parameterization: one which employs water with harmonic internal vibrations and another which uses anharmonic water. We show that the newly developed MS-RMD models very closely reproduce the solvation structure of the hydrated excess proton in the target AIMD data. We also find that the use of anharmonic water increases proton hopping, thereby increasing the proton diffusion constant.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Characterizing W sources in the all-W wall, all-RF WEST tokamak environment

In this work, experimental data, together with interpretive modeling tools, are examined to study trends in the tungsten (W) source in the all-W environment of the WEST tokamak, both from the divertor and from the main chamber. In particular, a poloidal limiter protecting an ion cyclotron resonance heating (ICRH) antenna is used as proxy for main chamber sourcing. The key study is carried out by stepping up lower hybrid current drive (LHCD) power, as the only auxiliary power source. Limiter and divertor W sources exhibit a qualitatively similar proportionality to the total power crossing the separatrix, P SEP , although the main chamber source remains substantially lower than the divertor source, for the range of P SEP accessible in the experiments. Intepretive modeling of the limiter source is carried out with a particle-in-cell (PIC) sheath model coupled to a surface sputtering model. Oxygen is used as a proxy for all light impurity species allowing for characterization of the critical W erosion regions. To get a good quantitative match to the data, it is necessary to assume that the oxygen arrives at the surface mostly at high ionization stages (4+ and above). A separate simulation with SOLEDGE-EIRENE, constrained to measured upstream scrape-off-layer plasma profiles, gives oxygen fractional abundances that are compatible with the PIC simulation result. This is understood to arise from transport processes that dominate over recombination. Substituting the LHCD by ICRH, in an equivalent experiment, the local W source exhibits a 3× enhancement. This can be matched by the simulation, by assuming local RF electric field rectification, based on ~100 eV peak-to-peak, near-antennna electric field. This work has highlighted the particular importance of understanding the ion charge state balance of light impurities as these are most likely the dominant sputtering species in fusion devices with high-Z walls.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

A Field Study on Simulation of CO 2 Injection and ECBM Production and Prediction of CO 2 Storage Capacity in Unmineable Coal Seam

CO 2 sequestration into a coal seam project was studied and a numerical model was developed in this paper to simulate the primary and secondary coal bed methane production (CBM/ECBM) and carbon dioxide (CO 2 ) injection. The key geological and reservoir parameters, which are germane to driving enhanced coal bed methane (ECBM) and CO 2 sequestration processes, including cleat permeability, cleat porosity, CH 4 adsorption time, CO 2 adsorption time, CH 4 Langmuir isotherm, CO 2 Langmuir isotherm, and Palmer and Mansoori parameters, have been analyzed within a reasonable range. The model simulation results showed good matches for both CBM/ECBM production and CO 2 injection compared with the field data. The history-matched model was used to estimate the total CO 2 sequestration capacity in the field. The model forecast showed that the total CO 2 injection capacity in the coal seam could be 22,817 tons, which is in agreement with the initial estimations based on the Langmuir isotherm experiment. Total CO 2 injected in the first three years was 2,600 tons, which according to the model has increased methane recovery (due to ECBM) by 6,700 scf/d.

He, Qin↗
DOE OSTI2015

SU-E-T-162: Characterization of a New Oblong Cone for Use with the Intraoperative Mobetron Unit

Purpose: To evaluate the dosimetric characteristics of a new flat 7 cm x 12 cm oblong cone for intraoperative radiation therapy (IORT) procedures. Methods: Percent depth dose (PDD) curves and profile measurements at dose depths of D100, D90, D80, D50, and D30 were measured using a parallel-plate ion chamber and a 3-D water tank Blue phantom II (iba) for the three energies (6, 9, and 12 MeV) available with the new generation Mobetron 2000. In addition, PDD curves and profiles were made with Gafchromic EBT3 films in solid water phantom. H&D curves were created for each energy for absolute calibration. The films were analyzed using the RIT image analysis software and then compared with the ion chamber results. Output values were obtained by normalizing the dose/MU at D100 at the clinical axis of the oblong cone by the dose/MU at D100 for the flat 10cm cylindrical standard cone using ion chamber measurements. Results: Ion chamber results show that the PDDs from the flat oblong cone, at the clinical axis, match with the PDDs for its “cylindrical brother” 7cm flat cone. These PDDs are comparable with those from the 10cm standard cone. The D100 coincides for all three energies. The cone output factors for the oblong cone are 1.07 for all energies. Ion chamber profiles measurements and film analysis show that the use of flat oblong cone with the 6 and 9 MeV energies Result in horns of approximately 12% and 8%, respectively. Conversely, 12 MeV profiles show loss of flatness near the field edge. Conclusion: The potential advantage of the oblong cones is the elimination of the well-known difficulties of electron field matching, both dosimetrically and in clinical setup.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Snowmelt Induced Hydrologic Perturbations Drive Dynamic Microbiological and Geochemical Behaviors across a Shallow Riparian Aquifer

Shallow riparian aquifers represent hotspots of biogeochemical activity in the arid western US. While these environments provide extensive ecosystem services, little is known of how natural environmental perturbations influence subsurface microbial communities and associated biogeochemical processes. Over a 6-month period we tracked the annual snowmelt-driven incursion of groundwater into the vadose zone of an aquifer adjacent to the Colorado River, leading to increased dissolved oxygen (DO) concentrations in the normally suboxic saturated zone. Strong biogeochemical heterogeneity was measured across the site, with abiotic reactions between DO and sulfide minerals driving rapid DO consumption and mobilization of redox active species in reduced aquifer regions. Conversely, extensive DO increases were detected in less reduced sediments. 16S rRNA gene surveys tracked microbial community composition within the aquifer, revealing strong correlations between increases in putative oxygen-utilizing chemolithoautotrophs and heterotrophs and rising DO concentrations. The gradual return to suboxic aquifer conditions favored increasing abundances of 16S rRNA sequences matching members of the Microgenomates (OP11) and Parcubacteria (OD1) that have been strongly implicated in fermentative processes. Microbial community stability measurements indicated that deeper aquifer locations were relatively less affected by geochemical perturbations, while communities in shallower locations exhibited the greatest change. Thus, reactive transport modeling of the geochemical and microbiological results supported field observations, suggesting that a predictive framework can be applied to develop a greater understanding of such environments.

58 GEOSCIENCES↗
DOE OSTI2020

Using mixed methods to construct and analyze a participatory agent-based model of a complex Zimbabwean agro-pastoral system

Complex social-ecological systems can be difficult to study and manage. Simulation models can facilitate exploration of system behavior under novel conditions, and participatory modeling can involve stakeholders in developing appropriate management processes. Participatory modeling already typically involves qualitative structural validation of models with stakeholders, but with increased data and more sophisticated models, quantitative behavioral validation may be possible as well. In this study, we created a novel agent-basedmodel applied to a specific context: Zimbabwean non-governmental organization the Muonde Trust has been collecting data on their agro-pastoral system for the last 35 years and had concerns about land-use planning and the effectiveness of management interventions in the face of climate change. We collaboratively created an agent-based model of their system using their data archive, qualitatively calibrating it to the observed behavior of the real system without tuning any parameters to match specific quantitative outputs. We then behaviorally validated the model using quantitative community-based data and conducted a sensitivity analysis to determine the relative impact of underlying parameter assumptions, Indigenous management interventions, and different rainfall variation scenarios. We found that our process resulted in a model which was successfully structurally validated and sufficiently realistic to be useful for Muonde researchers as a discussion tool. The model was inconsistently behaviorally validated, however, with some model variables matching field data better than others. We observed increased model system instability due to increasing variability in underlying drivers (rainfall), and also due to management interventions that broke feedbacks between the components of the system. Interventions that smoothed year-to-year variation rather than exaggerating it tended to improve sustainability. The Muonde trust has used the model to successfully advocate to local leaders for changes in land-use planning policy that will increase the sustainability of their system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

A low-energy perspective on the minimal left-right symmetric model

We perform a global analysis of the low-energy phenomenology of the minimal left-right symmetric model (mLRSM) with parity symmetry. We match the mLRSM to the Standard Model Effective Field Theory Lagrangian at the left-right-symmetry breaking scale and perform a comprehensive fit to low-energy data including mesonic, neutron, and nuclear β -decay processes, Δ F = 1 and Δ F = 2 CP-even and -odd processes in the bottom and strange sectors, and electric dipole moments (EDMs) of nucleons, nuclei, and atoms. We fit the Cabibbo-Kobayashi-Maskawa and mLRSM parameters simultaneously and determine a lower bound on the mass of the right-handed W R boson. In models where a Peccei-Quinn mechanism provides a solution to the strong CP problem, we obtain $ {M}_{W_R} $ ≳ 5 . 5 TeV at 95% C.L. which can be significantly improved with next-generation EDM experiments. In the P -symmetric mLRSM without a Peccei-Quinn mechanism we obtain a more stringent constraint $ {M}_{W_R} $ ≳ 17 TeV at 95% C.L., which is difficult to improve with low-energy measurements alone. In all cases, the additional scalar fields of the mLRSM are required to be a few times heavier than the right-handed gauge bosons. We consider a recent discrepancy in tests of first-row unitarity of the CKM matrix. We find that, while TeV-scale W R bosons can alleviate some of the tension found in the V ud,us determinations, a solution to the discrepancy is disfavored when taking into account other low-energy observables within the mLRSM.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Determination of the Goos-Hanchen shift in dielectric waveguides via photo emission electron microscopy in the visible spectrum

Photoemission Electron Microscopy (PEEM) is a versatile tool that relies on the photoelectric effect to produce high-resolution images. Pulse lasers allow for multi-photon PEEM where multiple photons are required excite a single electron. This non-linear process can directly image the near field region of electromagnetic fields in materials. We use this ability here to analyze wave propagation in a linear dielectric waveguide with wavelengths of 410nm and 780nm. The propagation constant of the waveguide can be extracted from the interference pattern created by the coupled and incident light and shows distinct polarization dependence. Furthermore, the electromagnetic field interaction at the boundaries can then be deduced which is essential to understand power flow in wave guiding structures. These results match well with simulations using finite element techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

SU-F-J-54: Towards Real-Time Volumetric Imaging Using the Treatment Beam and KV Beam

Purpose: Existing real-time imaging uses dual (orthogonal) kV beam fluoroscopies and may result in significant amount of extra radiation to patients, especially for prolonged treatment cases. In addition, kV projections only provide 2D information, which is insufficient for in vivo dose reconstruction. We propose real-time volumetric imaging using prior knowledge of pre-treatment 4D images and real-time 2D transit data of treatment beam and kV beam. Methods: The pre-treatment multi-snapshot volumetric images are used to simulate 2D projections of both the treatment beam and kV beam, respectively, for each treatment field defined by the control point. During radiation delivery, the transit signals acquired by the electronic portal image device (EPID) are processed for every projection and compared with pre-calculation by cross-correlation for phase matching and thus 3D snapshot identification or real-time volumetric imaging. The data processing involves taking logarithmic ratios of EPID signals with respect to the air scan to reduce modeling uncertainties in head scatter fluence and EPID response. Simulated 2D projections are also used to pre-calculate confidence levels in phase matching. Treatment beam projections that have a low confidence level either in pre-calculation or real-time acquisition will trigger kV beams so that complementary information can be exploited. In case both the treatment beam and kV beam return low confidence in phase matching, a predicted phase based on linear regression will be generated. Results: Simulation studies indicated treatment beams provide sufficient confidence in phase matching for most cases. At times of low confidence from treatment beams, kV imaging provides sufficient confidence in phase matching due to its complementary configuration. Conclusion: The proposed real-time volumetric imaging utilizes the treatment beam and triggers kV beams for complementary information when the treatment beam along does not provide sufficient confidence for phase matching. This strategy minimizes the use of extra radiation to patients. This project is partially supported by a Varian MRA grant.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

SOLAR MODELS WITH REVISED ABUNDANCE

We present new solar models in which we use the latest low abundances and further include the effects of rotation, magnetic fields, and extra-mixing processes. We assume that the extra-element mixing can be treated as a diffusion process, with the diffusion coefficient depending mainly on the solar internal configuration of rotation and magnetic fields. We find that such models can well reproduce the observed solar rotation profile in the radiative region. Furthermore, the proposed models can match the seismic constraints better than the standard solar models, also when these include the latest abundances, but neglect the effects of rotation and magnetic fields.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-T-110: Development of An Independent, Monte Carlo, Dose Calculation, Quality Assurance Tool for Clinical Trials

Purpose: To develop a comprehensive end-to-end test for Varian's TrueBeam linear accelerator for head and neck IMRT using a custom phantom designed to utilize multiple dosimetry devices. Purpose: To commission a multiple-source Monte Carlo model of Elekta linear accelerator beams of nominal energies 6MV and 10MV. Methods: A three source, Monte Carlo model of Elekta 6 and 10MV therapeutic x-ray beams was developed. Energy spectra of two photon sources corresponding to primary photons created in the target and scattered photons originating in the linear accelerator head were determined by an optimization process that fit the relative fluence of 0.25 MeV energy bins to the product of Fatigue-Life and Fermi functions to match calculated percent depth dose (PDD) data with that measured in a water tank for a 10x10cm2 field. Off-axis effects were modeled by a 3rd degree polynomial used to describe the off-axis half-value layer as a function of off-axis angle and fitting the off-axis fluence to a piecewise linear function to match calculated dose profiles with measured dose profiles for a 40×40cm2 field. The model was validated by comparing calculated PDDs and dose profiles for field sizes ranging from 3×3cm2 to 30×30cm2 to those obtained from measurements. A benchmarking study compared calculated data to measurements for IMRT plans delivered to anthropomorphic phantoms. Results: Along the central axis of the beam 99.6% and 99.7% of all data passed the 2%/2mm gamma criterion for 6 and 10MV models, respectively. Dose profiles at depths of dmax, through 25cm agreed with measured data for 99.4% and 99.6% of data tested for 6 and 10MV models, respectively. A comparison of calculated dose to film measurement in a head and neck phantom showed an average of 85.3% and 90.5% of pixels passing a 3%/2mm gamma criterion for 6 and 10MV models respectively. Conclusion: A Monte Carlo multiple-source model for Elekta 6 and 10MV therapeutic x-ray beams has been developed as a quality assurance tool for clinical trials.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Coded source neutron imaging

Coded aperture techniques have been applied to neutron radiography to address limitations in neutron flux and resolution of neutron detectors in a system labeled coded source imaging (CSI). By coding the neutron source, a magnified imaging system is designed with small spot size aperture holes (10 and 100 m) for improved resolution beyond the detector limits and with many holes in the aperture (50% open) to account for flux losses due to the small pinhole size. An introduction to neutron radiography and coded aperture imaging is presented. A system design is developed for a CSI system with a development of equations for limitations on the system based on the coded image requirements and the neutron source characteristics of size and divergence. Simulation has been applied to the design using McStas to provide qualitative measures of performance with simulations of pinhole array objects followed by a quantitative measure through simulation of a tilted edge and calculation of the modulation transfer function (MTF) from the line spread function. MTF results for both 100um and 10um aperture hole diameters show resolutions matching the hole diameters.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

{ital N}* Structure and Strong QCD

In attempting to match QCD with Nature, it is necessary to confront the many complexities of strong, nonlinear dynamics in relativistic quantum field theory, e.g. the loss of particle number conservation, the frame and scale dependence of the explanations and interpretations of observable processes, and the evolving character of the relevant degrees-of-freedom. The peculiarities of QCD ensure that it is also the only known fundamental theory with the capacity to sustain massless elementary degrees-of-freedom, gluons and quarks; and yet gluons and quarks are predicted to acquire mass dynamically so that the only massless systems in QCD are its composite Nambu-Goldstone bosons. All other everyday bound states possess nuclear-size masses, far in excess of anything that can directly be tied to the Higgs boson. These observations highlight fundamental questions within the Standard Model: what is the source of the mass for the vast bulk of visible matter in the Universe, how is its appearance connected with confinement; how is this mass distributed within hadrons and does the distribution differ from one hadron to another? This contribution sketches insights drawn using modern methods for the continuum bound-state problem in QCD, and how they have been informed by empirical information on the hadron spectrum and nucleon-to-resonance transition form factors.

Roberts, Craig D.↗
DOE OSTI2014

Coincidence ion imaging with a fast frame camera

A new time- and position-sensitive particle detection system based on a fast frame CMOS (complementary metal-oxide semiconductors) camera is developed for coincidence ion imaging. The system is composed of four major components: a conventional microchannel plate/phosphor screen ion imager, a fast frame CMOS camera, a single anode photomultiplier tube (PMT), and a high-speed digitizer. The system collects the positional information of ions from a fast frame camera through real-time centroiding while the arrival times are obtained from the timing signal of a PMT processed by a high-speed digitizer. Multi-hit capability is achieved by correlating the intensity of ion spots on each camera frame with the peak heights on the corresponding time-of-flight spectrum of a PMT. Efficient computer algorithms are developed to process camera frames and digitizer traces in real-time at 1 kHz laser repetition rate. We demonstrate the capability of this system by detecting a momentum-matched co-fragments pair (methyl and iodine cations) produced from strong field dissociative double ionization of methyl iodide.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

Progress on a New Integrated 3-D UCG Simulator and its Initial Application

A comprehensive simulator is being developed for underground coal gasification (UCG), with the capability to support site selection, design, hazard analyses, operations, and monitoring (Nitao et al., 2010). UCG is computationally challenging because it involves tightly-coupled multi-physical/chemical processes, with vastly different timescales. This new capability will predict cavity growth, product gas composition and rate, and the interaction with the host environment, accounting for site characteristics, injection gas composition and rate, and associated water-well extraction rates. Progress on the new simulator includes completion and system integration of a wall model, a rock spalling model, a cavity boundary tracking model, a one-dimensional cavity gas reactive transport model, a rudimentary rubble heat, mass, and reaction model, and coupling with a pre-existing hydrology simulator. An existing geomechanical simulator was enhanced to model cavity collapse and overburden subsidence. A commercial computational fluid dynamics (CFD) code is being evaluated to model cavity gas flow and combustion in two and three dimensions. Although the simulator is midway in its development, it was applied to modeling the Hoe Creek III field test (Stephens, 1981) conducted in the 1970s, in order to evaluate and demonstrate the simulator's basic capabilities, gain experience, and guide future development. Furthermore, it is consistent with our philosophy of incremental, spiral software development, which helps in identifying and resolving potential problems early in the process. The simulation accounts for two coal seams, two injection points, and air and oxygen phases. Approximate extent and shape of cavity growth showed reasonable agreement with interpreted field data. Product gas composition and carbon consumed could not be simultaneously matched for a given set of parameter values due to the rudimentary rubble model currently used, although they can be matched using separate parameter sets. This result is not surprising and confirms plans for a more sophisticated rubble model as our next step, as well as adding geomechanical collapse modeling and higher accuracy cavity gas reactive transport models. The results are very encouraging and demonstrate that our approach is sound.

01 COAL, LIGNITE, AND PEAT↗