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A New Capability of E4D For 3D Parallel Joint Inversion of DC Resistivity And Traveltime Data on Unstructured Mesh
A major challenge in interpreting geophysical data is how to derive consistent three-dimensional (3D) earth models of different physical properties from spatially and temporally limited measurements. Joint inversion with cross-gradient constraints is an approach to find such models by imposing structural similarities between different physical parameters. We have developed a parallel distributed-memory joint inversion code for direct-current (DC) resistivity and traveltime data using the cross-gradient constraint on unstructured mesh. The code utilizes existing E4D framework for parallel forward simulation, distributed storage and computation of the Jacobian matrix of forward operator, and parallel execution of matrix-vector multiplication during inversion. Besides, the joint inversion is solved by nonlinear conjugate gradient algorithm parallelized for DC resistivity and traveltime data. The joint inversion capability of E4D was tested using synthetic data from cross-borehole DC resistivity and traveltime data. The results indicate that the shape and size of the anomalies from the joint inversion are more reliable than those from separate inversions.
LocOO3D User's Manual
Loc003D is a software tool that computes geographical locations for seismic events at regional to global scales. This software has a rich set of features, including the ability to use custom 3D velocity models, correlated observations and master event locations. The Loc003D software is especially useful for research related to seismic monitoring applications, since it allows users to easily explore a variety of location methods and scenarios and is compatible with the CSS3.0 software format used in monitoring applications. The Loc003D software is available on the web at: www.sandia.gov/salsa3d/Software.html The software is packaged with this user's manual and a set of example datasets, the use of which is described in this manual.
LocOO3D User's Manual
LocOO3D is a software tool that computes geographical locations for seismic events at regional to global scales. This software has a rich set of features, including the ability to use custom 3D velocity models, correlated observations and master event locations. The LocOO3D software is especially useful for research related to seismic monitoring applications, since it allows users to easily explore a variety of location methods and scenarios and is compatible with the CSS3.0 data format used in monitoring applications. The LocOO3D software, User's Manual, and Examples are available on the web at: https://github.com/sandialabs/LocOO3D For additional information on GeoTess, SALSA3D, RSTT, and other related software, please see: https://github.com/sandialabs/GeoTessJava, www.sandia.gov/geotess, www.sandia.gov/salsa3d, and www.sandia.gov/rstt
Exploration of groundwater and geothermal characteristics of Tohatchi Hot Springs aquifer at local and regional scales
Objective: Aquifer sustainability for geothermal resources exploration of Tohatchi Hotsprings, New Mexico. Tasks: (1) Generate 3D numerical models using PFLOTRAN to explore the geothermal resources in the Tohatchi spring aquifer and its contiguous areas and (2) estimate the sustainability of the aquifer for future geothermal resource development.
Phase-Field Modeling of Materials Interfaces and Nanostructures
Nanostructured materials offer unique properties for a wide range of energy applications. Among various known processing methods, liquid metal dealloying (LMD)—the selective dissolution of a base alloy element into a metallic melt—has emerged as a powerful technique to produce a new class of nano-/meso-scale open porous and bicontinuous composite structures with ultra-high interfacial area. LMD has recently been complemented by the advent of vapor phase dealloying (VPD), a novel technique that exploits the selective evaporation of one element from a parent alloy containing elements with very different vapor pressures, thereby enabling to fabricate open nanoporous structures of various elements from less-noble metals to inorganic elements regardless of their chemical activity without requiring high LMD temperatures and chemical etching. Together LMD and VPD have greatly expanded the scope of dealloying techniques, limited by traditional electrochemical means to noble metals, and boosted the design of new functional and structural materials that combine a wide variety of elements. Topologically-connected open porous structures with ultra-high surface area allow mass transport within the structure while preserving structural integrity, enabling them to serve as catalysts, fuel cells, supercapacitors, or high-capacity battery materials. Bicontinuous composite structures in turn can display high strength and high ductility or superior radiation-damage resistance due to the ultra-high interface area between interpenetrating solid phases. This research program makes use of state-of-the-art computational methods to understand at a basic level the self-organizing dealloying process with main focus on dealloying kinetics and interfacial pattern formation at the dealloying front controlling initial structure size, topology, and phase compositions. Phase-field simulation studies of LMD focus on solid solutions, line compounds, and intermetallic systems that can form ternary composites by nucleation and growth of a new phase. Studies of VPD employ phase-field modeling and a hybrid method combining a kinetic Monte Carlo (KMC) model of evaporation and surface diffusion with molecular dynamics for vapor-phase transport inside nanopores. Simulations explore mechanisms of interface- and diffusion-controlled dealloying kinetics, both observed in VPD but not fundamentally understood. In addition, our newly developed multi-physics phase-field approach of large-volume-change phase transformations is being used to model novel 3D anode geometries based on dealloyed nanoporous structures including novel sandwiched graphene/Si/silica for highrate Li ion battery. Those studies are aimed at elucidating geometric design principles that improve mechanical stability. We expect this research to enhance the capability to tailor nano-/mesoscale structures for a wide range of energy-related materials applications and to yield further advances in computational methodologies that benefit a broad materials research community.
Verification of Thermodynamic Conservation in the Exero: H2GEN Reactor
The key objective of this project is to conduct an independent analysis of UG’s eXERO technology. Additionally, ORNL will perform 3D multiphysics modelling of the cell to understand and optimize the key operating parameters in generating 99.9+% pure hydrogen. The first objective of this work is to conduct first and second law analysis of the eXERO technology and independently verify the measured performance data, provided by UG.
A Survey of Explicit 3D Mesoscale Simulations and Autoregressive Models for Shock Wave Propagation in Heterogeneous Randomized Media.
Abstract not provided.
Integrated Multiscale Model for Design of Robust 3D Solid-state Lithium Batteries [Poster]
Abstract not provided.
Integrated Multiscale Model for Design of Robust 3D Solid-state Lithium Batteries
Abstract not provided.
Progress towards a fully 3D, thermodynamically-consistent, constitutive model for volume changes during crystallization and melting of semicrystalline polymers
A thermodynamically-consistent constitutive model for semicrystalline polymers has been developed that is capable of representing volume strains from crystallization and melting. The new model is targeted at representing the thermal strain behavior of polymeric photo-voltaic module polymer encapsulation which may undergo crystallization and melting in their service environments. In the model, a homogenized material point is represented by a Gibbs free energy incorporating contributions from the crystalline phase, the amorphous phase, and mixing terms.
CCUS Plume Monitoring: Verifying Surface CSEM Measurements to Log Scale Available
Conference presentation at Society of Petrophysicists and Well Log Analysts (SPWLA) 64th Annual Symposium, Lake Conroe, Texas, June 10–14, 2023. In carbon capture, utilization, and storage (CCUS) monitoring, dynamic plume monitoring and reservoir seal are key issues. Plume monitoring is best addressed with electromagnetics (sensitive to the resistivity contrast) and reservoir leakage with microseismics. A case history from North Dakota illustrates how we can tie surface-controlled source electromagnetic (CSEM) measurements to the three-dimensional (3D) anisotropic models derived from the available logs. This allows us to certify baseline measurements within the context of the borehole information.
COMSOL Simulation of Optical Whispering Gallery Mode (WGM) Resonator
We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.
COMSOL Simulation of Optical Whispering Gallery Mode (WGM) Resonator
We simulate whispering-gallery mode coupling in a Si$_3$N$_4$--LiNbO$_3$ waveguide--resonator system using 2D and 3D COMSOL models. Results show that the TM$_{00}$ mode couples far more efficiently than TE$_{00}$ due to weaker confinement and stronger evanescent overlap, with critical coupling reached near a 0.20~µm gap. The study highlights polarization dependence, geometric sensitivity, and birefringence as key factors shaping resonant behavior.
A Novel Multifunctional β-N-Acetylhexosaminidase Revealed through Metagenomics of an Oil-Spilled Mangrove
The use of culture-independent approaches, such as metagenomics, provides complementary access to environmental microbial diversity. Mangrove environments represent a highly complex system with plenty of opportunities for finding singular functions. In this study we performed a functional screening of fosmid libraries obtained from an oil contaminated mangrove site, with the purpose of identifying clones expressing hydrolytic activities. A novel gene coding for a β-N-acetylhexosaminidase with 355 amino acids and 43KDa was retrieved and characterized. The translated sequence showed only 38% similarity to a β-N-acetylhexosaminidase gene in the genome of Veillonella sp. CAG:933, suggesting that it might constitute a novel enzyme. The enzyme was expressed, purified, and characterized for its enzymatic activity on carboxymethyl cellulose, p-Nitrophenyl-2acetamide-2deoxy-β-D-glucopyranoside, p-Nitrophenyl-2acetamide-2deoxy-β-D-galactopyranoside, and 4-Nitrophenyl β-D-glucopyranoside, presenting β-N-acetylglucosaminidase, β-glucosidase, and β-1,4-endoglucanase activities. The enzyme showed optimum activity at 30 °C and pH 5.5. The characterization of the putative novel β-N-acetylglucosaminidase enzyme reflects similarities to characteristics of the environment explored, which differs from milder conditions environments. This work exemplifies the application of cultivation-independent molecular techniques to the mangrove microbiome for obtaining a novel biotechnological product.
Impact Study of Metal Fasteners in Roofing Assemblies using Three-Dimensional Heat Transfer Analysis
Heat transfer analysis was performed on typical roofing assemblies using HEAT3, a three-dimensional heat transfer analysis software. The difference in heat transferred through the roofing assemblies considered is compared between two cases - without any steel fasteners and with steel fasteners. In the latter case, the metal roofing fasteners were arranged as per Factor Mutual Global (FMG) approvals, in the field, perimeter, and corner zones of the roof. The temperature conditions used for the analysis represented summer and winter conditions for three separate Climate Zones (CZ) namely Climate Zone 2 or CZ2 represented by Orlando, FL; CZ3 represented by Atlanta, GA; and CZ6 zone represented by St. Paul, MN. In all the climatic conditions, higher energy transfer was observed with increase in the number of metal fasteners attributed to high thermal conductivity of metals as compared to the insulation and other materials used in the roofing assembly. This difference in heat loss was also quantified in the form of percentage change in the overall or effective insulation of the roofing assembly for better understanding of the practical aspects. Besides, a comparison of 2D heat transfer analysis (using THERM software) and 3D analysis using HEAT3 is also discussed.
Applying Electrical Resistivity Tomography in Ornamental Stone Mining: Challenges and Solutions
In this study, the use of electrical resistivity tomography (ERT) as a tool to guide ornamental stone extraction is investigated. ERT is not conventionally used in highly resistive environments, such as on rock faces, due to the high contact resistances that can impede current injection. Here, the challenges of conducting ERT in such environments are discussed and possible solutions suggested. For this, an example of the application of ERT in a deep and narrow marble quarry is used. The marble deposit is affected by fracturing and karstification. Due to the nature of these features, they present a significant resistivity contrast to the background resistivity of the marble and thus excellent targets to test the application of ERT. Their location was mapped using field observations and complementary ground penetrating radar data. By using an appropriate sensor deployment, a suitable resistivity meter, and advanced data processing routines, the derived 3D resistivity model is in good agreement with the independent observations. This shows that despite the challenges, ERT can be used as a non-invasive tool to obtain information on the stone properties prior to extraction. This will help in guiding quarry operations and will allow for a targeted, safe and efficient extraction of high quality stone, thereby increasing sustainability and economical competitiveness.
HOOKED FLARE RIBBONS AND FLUX-ROPE-RELATED QSL FOOTPRINTS
We studied the magnetic topology of active region 12158 on 2014 September 10 and compared it with the observations before and early in the flare that begins at 17:21 UT (SOL2014-09-10T17:45:00). Our results show that the sigmoidal structure and flare ribbons of this active region observed by the Solar Dynamics Observatory /Atmospheric Imaging Assembly can be well reproduced from a Grad–Rubin nonlinear force-free field extrapolation method. Various inverse-S- and inverse-J-shaped magnetic field lines, which surround a coronal flux rope, coincide with the sigmoid as observed in different extreme-ultraviolet wavelengths, including its multithreaded curved ends. Also, the observed distribution of surface currents in the magnetic polarity where it was not prescribed is well reproduced. This validates our numerical implementation and setup of the Grad–Rubin method. The modeled double inverse-J-shaped quasi-separatrix layer (QSL) footprints match the observed flare ribbons during the rising phase of the flare, including their hooked parts. The spiral-like shape of the latter may be related to a complex pre-eruptive flux rope with more than one turn of twist, as obtained in the model. These ribbon-associated flux-rope QSL footprints are consistent with the new standard flare model in 3D, with the presence of a hyperbolic flux tube located below an inverse-teardrop-shaped coronal QSL. This is a new step forward forecasting the locations of reconnection and ribbons in solar flares and the geometrical properties of eruptive flux ropes.