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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Bead–Spring Simulation of Ionomer Melts—Studying the Effects of Chain-Length and Associating Group Fraction on Equilibrium Structure and Extensional Flow Behavior

Ionomers are associative polymers with diverse applications ranging from selective membranes and high-performance adhesives to abrasion- and chemical-resistant coatings, insulation layers, vacuum packaging, and foamed sheets. Within equilibrium melt, the ionic or associating groups are known to form thermally reversible, associative clusters whose presence can significantly affect the system’s mechanical, viscoelastic, and transport properties. It is, thus, of great interest to understand how to control such clusters’ size distribution, shape, and stability through the designed choice of polymer architecture and the ionic groups’ fraction, arrangement, and interaction strength. In this work, we represent linear associating polymers using a Kremer–Grest type bead–spring model and perform large-scale MD simulations to explore the effect of polymer chain-length (l) and fraction (f s ) of randomly placed associating groups on the size distribution and stability of formed clusters. We consider different chain-lengths (below and above entanglement), varying fractions of associating groups (represented by ‘sticky’ beads) between 5 and 20%, and a fixed sticky–sticky nonbond interaction strength of four times that between regular non-associating beads. For all melts containing associating groups the equilibrium structure factor S(q) displays a signature ionomer peak at low wave vector q whose intensity increases with increasing f s and l. The average cluster size Nc increases with f s . However, the effect of chain-length on Nc appears to be pronounced only at higher values of f s . Under extensional flows, the computed stress (and viscosity) is higher at higher f s and l regardless of strain rate. Beyond a critical strain rate, we observe fragmentation of the associative clusters, which has interesting effects on the stress/viscous response.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Effects of structure and volcanic stratigraphy on groundwater and surface water flow: Hat Creek basin, California, USA

Abstract Hydrogeologic systems in the southern Cascade Range in California (USA) develop in volcanic rocks where morphology, stratigraphy, extensional structures, and attendant basin geometry play a central role in groundwater flow paths, groundwater/surface-water interactions, and spring discharge locations. High-volume springs (greater than 3 m 3 /s) flow from basin-filling (<800 ka) volcanic rocks in the Hat Creek and Fall River tributaries and contribute approximately half of the average annual flow of the Pit River, the largest tributary to Shasta Lake. A hydrogeologic conceptual framework is constructed for the Hat Creek basin combining new geologic mapping, water-well lithologic logs, a database of active faults, LiDAR mapping of faults and volcanic landforms, streamflow measurements and airborne thermal infrared remote sensing of stream temperature. These data are used to integrate the geologic structure and the volcanic and volcaniclastic stratigraphy to create a three-dimensional interpretation of the hydrogeology in the basin. Two large streamflow gains from focused groundwater discharge near Big Spring and north of Sugarloaf Peak result from geologic barriers that restrict lateral groundwater flow and force water into Hat Creek. The inferred groundwater-flow barriers divide the aquifer system into at least three leaky compartments. The two downstream compartments lose streamflow in the upstream reaches (immediately downstream of the groundwater-flow barriers) and gain in downstream reaches with the greatest inflows immediately upstream of the barriers.

Geology↗
DOE OSTI2016

Snake River Plain FORGE: Site Characterization Data

The site characterization data used to develop the conceptual geologic model for the Snake River Plain site in Idaho, as part of phase 1 of the Frontier Observatory for Research in Geothermal Energy (FORGE) initiative. This collection includes data on seismic events, groundwater, geomechanical models, gravity surveys, magnetics, resistivity, magnetotellurics (MT), rock physics, stress, the geologic setting, and supporting documentation, including several papers. Also included are 3D models (Petrel and Jewelsuite) of the proposed site. Data for wells INEL-1, WO-2, and USGS-142 have been included as links to separate data collections. These data have been assembled by the Snake River Geothermal Consortium (SRGC), a team of collaborators that includes members from national laboratories, universities, industry, and federal agencies, lead by the Idaho National Laboratory (INL). Other contributors include the National Renewable Energy Laboratory (NREL), Lawrence Livermore National Laboratory (LLNL), the Center for Advanced Energy Studies (CEAS), the University of Idaho, Idaho State University, Boise State University, University of Wyoming, University of Oklahoma, Energy and Geoscience Institute-University of Utah, US Geothermal, Baker Hughes Campbell Scientific Inc., Chena Power, US Geological Survey (USGS), Idaho Department of Water Resources, Idaho Geological Survey, and Mink GeoHydro.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Trans-crustal structural control of CO 2 -rich extensional magmatic systems revealed at Mount Erebus Antarctica

Erebus volcano, Antarctica, with its persistent phonolite lava lake, is a classic example of an evolved, CO 2 -rich rift volcano. Seismic studies provide limited images of the magmatic system. Here we show using magnetotelluric data that a steep, melt-related conduit of low electrical resistivity originating in the upper mantle undergoes pronounced lateral re-orientation in the deep crust before reaching shallower magmatic storage and the summit lava lake. The lateral turn represents a structural fault-valve controlling episodic flow of magma and CO 2 vapour, which replenish and heat the high level phonolite differentiation zone. This magmatic valve lies within an inferred, east-west structural trend forming part of an accommodation zone across the southern termination of the Terror Rift, providing a dilatant magma pathway. Unlike H 2 O-rich subduction arc volcanoes, CO 2 -dominated Erebus geophysically shows continuous magmatic structure to shallow crustal depths of < 1 km, as the melt does not experience decompression-related volatile supersaturation and viscous stalling.

58 GEOSCIENCES↗
DOE OSTI2017

Integrating Magnetotellurics, Soil Gas Geochemistry and Structural Analysis to Identify Hidden, High Enthalpy, Extensional Geothermal Systems

Our research group comprising personnel from University of Utah/EGI (UU/EGI), University of Nevada at Reno (UNR) and Lawrence Berkeley National Laboratory (LBNL) has been applying magnetotellurics (MT), diagnostic structural affiliations, and soil gas flux and geochemistry to assist in identifying hidden, high-enthalpy geothermal systems in extensional regimes of the U.S. Great Basin. We are specifically looking for upwelling low-resistivity and geologic structures that can carry fluids from magmatic or high-grade metamorphic conditions in the deep crust upward to exploitable depths, and to verify the nature of the deep sources through soil gas geochemical compositions. The project was motivated by prior MT transect coverage of western and central Nevada centered upon the Dixie Valley geothermal system where such favorable indicators were first recognized. The high-angle structures are taken to be fluidized fault zones connecting deep magmatic/metamorphic activity with the geothermal system but the concept requires verification by testing at other systems. The project was set up with a two-phased organization. Phase I was carried out at the McGinness Hills system, central Nevada, where Ormat’s flagship power facility is located and a considerable amount of pre-existing data was available. Transect MT data also showed a strong low-resistivity upwelling originating from interpreted deep crustal magmatic underplating. Controlling structures on production as indicated by Ormat data and new mapping by UNR were favorable to dilatency being an accommodation zone between major normal faults of opposing dip. A 3D MT survey and inversion confirmed the existence of the steep low-resistivity zone dipping ESE toward the deep crust and placed N-S bounds upon the feature. Ormat personnel cooperated with PI Wannamaker in the field in providing fluid samples from the production intervals for He isotope composition. Elevated 3He was verified through analysis at LBNL confirming that there was a magmatic connection into the producing system. High CO2 soil gas flux including possibly metamorphic 13C and 14C component was measured over the area of dilatent structures. Hence, the triad of indicators posed above was confirmed in Phase I. Subsequently, Phase II of the project proceeded in the greenfield Kumiva-Blackrock Desert district of northwestern Nevada to see if a new system could be identified. Transect MT data also showed a strong low-resistivity upwelling originating from interpreted deep crustal magmatic underplating. However, given that there was no exploitable geothermal system recognized at the outset in the region, the collection of new geoscientific data was required. An areal MT survey of 131 sites over the Kumiva-Blackrock Desert district was completed, and a 3D inversion produced using the in-house, DOE-supported finite element inversion algorithm. Particular MT low resistivity upwellings that received followup study occurred under the west flank of the Seven Troughs Range, under the playa immediately west of the Blue Wing Mountains, and under northern Granite Springs Valley. Structural assessment of the project area by Co-I J. Faulds at UNR provided numerous favorable Quaternary fault settings, which were correlated to the MT upwelling structures. Extensive profiling for CO2 soil gas flux over favorable geophysical and geological structure was performed by LBNL personnel. Soil gas flux anomalies generally were not large but did show correlation with MT upwelling structure and favorably dilatent geological structures. Isotope analyses showed presence of possible inorganic/metamorphic 13C but 14C concentrations did not exceed background values. We view the initial concept of a confluence of MT low-resistivity upwelling, favorably dilatent 3D geological structure, and elevated soil gas flux including 13C component to be supported by the further evidence of this project although the indicators in the Phase II study were more diffuse. The northern Granite Springs Valley structure is receiving followup in the UNR Play Fairway Analysis, being in the southern termination of a major normal fault with silicified soil and warm temperature probe results

15 GEOTHERMAL ENERGY↗
DOE OSTI2023

Small-Magnitude Seismic Swarms in Central Utah (US): Interactions of Regional Tectonics, Local Structures and Hydrothermal Systems

Swarms in Central Utah are situated in the complex transition between the Basin and Range (BR) province and the Colorado Plateau. Transecting transverse structures, volcanic deposits, and hydrothermal systems complicate the extensional BR horst and graben structures and provide a multitude of plausible triggering mechanisms. Revisiting the catalog of the University of Utah Seismograph Stations (1981–2022), we analyze spatio-temporal patterns and characteristic features of seismic sequences. Swarms with alternating seismicity rates, bursts, and longer swarms with persistent moment release exhibit a remarkable diversity in temporal evolution. Swarm durations do not scale with cumulative seismic moment: swarms lasting less than 1 day can have similar cumulative seismic moments as month-long swarms. Here, we observe stationary swarms re-occurring for years (e.g., Mineral Mountains), as well as singular swarms in low-seismicity areas (e.g., activating a local structure). The swarms show a pronounced heterogeneity in triggering and driving mechanisms, observed in the detailed analysis of exemplary sequences (detections, relocations, moment tensors, waveform-based clustering, and repeater analysis). The 2022 Sevier Valley sequence activated a BR-related normal fault, the first resolved fault plane in the valley since 1983. The 2011 Circleville sequence is interpreted as a swarm triggered by mainshock-aftershock activity characterized by increasing magnitudes, changing rupture mechanisms, and a concentration of highly similar events in the second part of the sequence. By jointly discussing exemplary sequences and catalog statistics, we draw a comprehensive picture of swarm activity and its relation to geothermal and tectonic activity.

58 GEOSCIENCES↗
DOE OSTI2020

Play Fairway Analysis: Structurally Controlled Geothermal Systems in the Eastern Great Basin Extensional Regime, Utah

A research team with membership from the University of Utah/Energy & Geoscience Institute, the University of Utah/Dept. of Geology & Geophysics, and the Utah Geological Survey, undertook a play fairway analysis (PFA) for geothermal resources in the Eastern Great Basin (EGB) extensional tectonic regime of western Utah. This is a high-priority region for geothermal exploration because active Basin and Range (B&R) extension with volcanism having a N-S strike is superimposed upon pre-existing E-W belts of plutonic rocks and large-scale structural lineaments. Cumulative heat flow along the N-S strike of the state totals approximately 5 GWt above background stable interior. Three electricity producing power plants currently exist with substantial potential for increase. Succinctly, our PFA approach aims to resolve potential sources of heat and permeability in the region, which are the two principal criteria for establishing a geothermal resource. An initial Phase 1 was carried out using only existing geoscientific data in the area. Criteria selected for focusing heat potential include direct heat flow measurements in boreholes, magnetotelluric (MT) low resistivity anomalies, fluid/gas geochemistry, and proximity to recent volcanic eruptions. Permeability is established through geological structures (fault density, critically stressed areas, seismicity, gravity), and MT low resistivity anomalies. In Phase II of this PFA project, additional geological, geophysical and geochemical data were acquired and analysis carried out primarily over promising composite common risk (CCR) areas initially identified in Phase I in order to focus prospectivity and prepare for drilling recommendations. These prospects are near the Twin Peaks rhyolite field, high heat flow areas north of the producing Cove Fort system, and geophysical structure beneath the Crater Knoll area off the northeast flank of the Mineral Mountains. Additional data included MT site fill-in, structural mapping and analysis using high-resolution imagery, gravity and on-ground mapping, Nodal 3C passive seismic collection, and passive 3He surveying. Heat source and permeability potential are again expressed in terms of their individual common risk segment (CRS) maps, with a color scheme using green for most favorable (low risk) and red for least favorable (high risk). Diverse data types are united through the technique of probability kriging, which establishes prospectivity thresholds for each data type and then computes probability of exceeding that threshold over the PFA area. Modified CRS and CCRS maps are compared to those of Phase I to highlight tighter prospectivity focus. In doing so, the prospectivity threshold for heat was increased significantly to narrow the targeting. In the final Phase III of this project where a recommended deep thermal gradient hole was sited, additional geophysical, geochemical and geological field collection and analysis was carried out to refine drill hole targeting. This includes prospect-scale MT, gravity, structure, passive seismic deployment (Cove Fort area), and detailed 3He isotope profiling. It was the recommendation of the DOE Technical Monitoring Team (TMT) that one or more holes be sited in the north-ern Cove Fort area where legacy TG gradient holes showed high cumulative heat flow. These were to be of moderate depth, 2000-3000 feet, to reach the geothermal fluid table expected to start in excess of 1000 feet depth. The drilling organization stipulated by the DOE/GTO was that of the USGS Research Drilling Program (RDP) centered in Las Vegas, NV. A detailed well plan, appended to this report, was developed principally by Dr. Ben Barker consulting to University of Utah, Dr. Steve Pye on the DOE TMT, Mr. Steven Crawford of the USGS-RDP, and the project PI Phil Wannamaker. However, temperature and possible H 2 S at the systems lead to cancellation of the drilling last-minute as this appeared outside the experience base of the USGS-RDP. We hope to have the opportunity to revisit the test drilling and expand the Play Fairway Analysis of this region at some point in the future.

15 GEOTHERMAL ENERGY↗
DOE OSTI2017

Molecular mechanics of Staphylococcus aureus adhesin, CNA, and the inhibition of bacterial adhesion by stretching collagen

Bacterial adhesion to collagen, the most abundant protein in humans, is a critical step in the initiation and persistence of numerous bacterial infections. In this study, we explore the collagen binding mechanism of the multi-modular cell wall anchored collagen adhesin (CNA) in Staphylococcus aureus and examine how applied mechanical forces can modulate adhesion ability. The common structural-functional elements and domain organization of CNA are present across over 50 genera of bacteria. Through the use of molecular dynamics models and normal mode analysis, we shed light on the CNA’s structural and conformational dynamics and its interactions with collagen that lead to collagen binding. Our results suggest that the linker region, CNA 165-173 , acts as a hinge exhibiting bending, extensional, and torsional modes of structural flexibility and its residues are key in the interaction of the CNA-collagen complex. Steered molecular dynamics simulations were conducted with umbrella sampling. During the course of these simulations, the ‘locking’ latch from the CNA N2 domain was dissociated from its groove in the CNA N1 domain, implying the importance of the latch for effective ligand binding. Finally, we observed that the binding efficiency of the CNA N1-N2 domains to collagen decreases greatly with increasing tensile force application to the collagen peptides. Thus, CNA and similar adhesins might preferentially bind to sites in which collagen fibers are cleaved, such as in wounded, injured, or inflamed tissues, or in which the collagenous tissue is less mature. As alternative techniques for control of bacterial infection are in-demand due to the rise of bacterial antibiotic resistance, results from our computational studies with respect to the mechanoregulation of the collagen binding site may inspire new therapeutics and engineering solutions by mechanically preventing colonization and/or further pathogenesis.

Science & Technology - Other Topics↗
DOE OSTI2021

Effects of a Layered Morphology on Drip Suppression in Burning Polymers

Fire safety in polymers is critically important with products such as textiles and consumer goods, as well as materials used in construction, aerospace, transportation, and furniture. Additives used as anti-dripping and flame-retardant agents impose acute human health issues and have negative environmental impacts. With a focus on developing additive-free solutions, here we used multilayer coextrusion to fabricate layered polyethylene/polypropylene (PE/PP) films and investigated the effect of a layered morphology on dripping and burning rates. The experimental results for multilayered PE/PP samples were compared to control groups of melt blended PE/PP samples. The multilayer configuration provides two significant advantages: 154% delay in the time to the first drip and up to 87% reduction in the number of drips compared to the value for the melt blended samples with no additives. PE/PP blends with up to 2 wt % polytetrafluoroethylene, a commonly used anti-dripping agent in the industry, showed only 85% delay in the time to the first drip and about 60% reduction in the number of drips. We discovered a linear relationship between film thickness and burning rate, which allows for the use of the volumetric burning rate to normalize the effect of film thickness. No benefit in the burning rate was observed when comparing multilayered structures and conventional melt blended architectures or blends with PTFE. Annealing studies and transmission electron microscopy at areas close to the combustion zones confirmed that higher extensional viscosities induced by the layered structures and morphological changes due to the layer breakup play an important role in reducing dripping. By combining the first drip time and overall drip numbers, a parameter, “dripping index”, was defined to establish a fire safety map to simplify material comparisons. This study demonstrates that a multilayer film geometry can provide an additive-free solution to yield control over fire safety parameters in polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Regional and Local Geothermal Potential Evaluation: Examples from the Great Basin, USA, Iceland and East Africa

In both tectonically and magmatically mediated geothermal systems, geologic structures play a crucial role in focusing geothermal fluid circulation in the upper crust. In a variety of geothermal provinces worldwide, normal and strike-slip faults, caldera related faults, as well as fractures and fissures related to dikes and other magmatic intrusions generate the fracture permeability utilized for geothermal circulation. Localities where the above structures intersect and interact are characterized by the most robust generation and maintenance of fracture permeability, and therefore are the most favorable conduits for geothermal circulation. We present an evaluation of the structural geometries that tend to generate high density faulting and fracturing and an evaluation of the orientations of those structures with respect to the ambient stress conditions in three regions of high geothermal potential; The Great Basin, USA, Iceland, and east Africa. These analyses provide first-order constraints on areas that have favorable conditions for permeability and where future exploration for geothermal resources could be focused. In the Great Basin, USA, fault step-overs, fault terminations and accommodation zones are among the most common structural settings of known geothermal activity. Analysis of the geometry of these structures with respect to the ambient stress conditions reveals locations where faults associated with these structures are favorably oriented for enhanced fracture permeability. In magmatically active extensional provinces, like Iceland and east Africa, heat associated with shallow magmatic intrusions beneath volcanic centers drives geothermal circulation in near-surface fracture permeability conduits. Accentuated fault and fracture density and fracture permeability is generated by both axially oriented faults and fractures associated with axial rift zones and radially oriented structures near volcanic centers. Although heat from magmatic intrusion is most robust at volcanic centers, a high density of young intrusions may actually result in decreased permeability through closing of fracture networks. The locations of these three types of features; axial faults and fractures, radial structures, and young magmatic intrusions, all play a critical role in determining the most favorable locations for fracture permeability and fluid flow in magmatic geothermal systems. Within and around the margins of volcanic centers, where radial structures associated with volcanic centers interact and intersect with axially oriented structures associated with axial extension are the most favorable locations for fracture permeability and geothermal fluid circulation in magmatic extensional geothermal systems.

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Geometry and dynamics of passive scalar structures in compressible turbulent mixing

We present a structure-based numerical analysis of passive scalar mixing in decaying homogeneous isotropic turbulence (DHIT) and shock-turbulence interaction canonical configurations. The analysis focuses on the temporal evolution of ensembles of passive scalar structures, initialized as spheres of different sizes relative to the Taylor microscale. An algorithm is introduced to track the evolution of each individual structure and the interactions with other structures in the ensemble, relating changes in the surface geometry and the underlying physical processes (turbulent transport, scalar dissipation, and shock compression). The tracking algorithm is applied to datasets from shock-capturing direct numerical simulations of DHIT, with Taylor microscale Reynolds number Re λ =40 and turbulence Mach number M t =0.2 ⁠, and STI cases in which the turbulence is processed by a shock wave at Mach numbers M = 1.5 and 3.0. Temporal surface convolution increases for initially larger structures, resulting in a higher probability of locally hyperbolic geometries where breakup into smaller structures occurs. Shock-induced deformation of the structures amplifies breakup processes, enhancing mixing, particularly for larger structures. Mixing enhancement by the shock is manifested as an amplification of the surface-averaged scalar gradient, which increases for initially larger structures. The alignment between the scalar gradient and the most extensional strain-rate eigendirection on the scalar isosurfaces also increases across the shock. Larger magnitudes of the scalar gradient and its alignment with the most compressive strain-rate eigendirection correlate with flatter surface regions. Shock-induced structure compression increases the area coverage of flat regions, where the amplification of scalar gradient is localized.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Stretchable conductive composites for use in soft devices

An elastically-deformable, conductive composite using elastomers and conductive fibers and simple fabrication procedures is provided. Conductive elastomeric composites offer low resistance to electrical current and are elastic over large (>25%) extensional strains. They can be easily interfaced/built into structures fabricated from elastomeric polymers.

Lessing, Joshua Aaron↗
DOE OSTI2023

Effect of isopropanol cosolvent on the rheology and spinnability of aqueous polyacrylic acid solutions

Abstract We investigate the effect of alcohol fraction (isopropanol, IPA) in a binary water‐alcohol solvent mixture on the shear and extensional rheological properties, as well as the role of viscoelasticity on fiber formation of poly(acrylic acid) (PAA) in electrospinning. Comparison of the scaling of both specific viscosities η sp and extensional relaxation times λ E of PAA in water–IPA mixtures, showed stronger scaling compared to salt‐free aqueous polyelectrolyte solutions, except for the η sp in the unentangled regime displaying a polyelectrolyte‐like scaling η sp ~ c 0.5 for all IPA%. Such deviation suggested IPA induces association/aggregation of PAA. However, the trends between η sp and λ E magnitudes as a function of IPA% differ for concentrations compared in the entangled regime. The η sp as well as their elastic moduli exhibit a maximum, whereas λ E increases monotonically with IPA%, suggesting a complex interplay of various interactions are dictating their structure in water‐IPA mixtures, affecting their shear and extensional response differently. Electrospinning experiments showed increasing IPA% reduces the onset of both beaded and uniform fibers. Analysis using dimensionless numbers indicated the enhancement of their elasticity by IPA, and the consequent stabilizing effect on their jets/filaments against break‐up during electrospinning, plays a role in the improvement of their fiber formation.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Favorable tectonic and structural settings of geothermal systems in the Great Basin region, western USA: Proxies for discovering blind geothermal systems

We recently completed a comprehensive inventory of the structural settings of known geothermal systems (426 total, ≥37°C) in the extensional to transtensional terrane of the Great Basin region in the western USA. Of the known systems, ~39% are blind (no surface hot springs or fumaroles), but estimates suggest that as much as 75% of the geothermal resources in the region are blind. The density of geothermal systems and capacity of power plants correlate generally with tectonic strain rates. However, highenthalpy geothermal activity is restricted to regions of extensional to transtensional strain, particularly the northwestern part of the Great Basin directly northeast of the dextral shear zone of the Walker Lane and pull-apart zones within both the Walker Lane and San Andreas fault system. We catalogued systems into eight major groups, based on the dominant pattern of faulting. Of the nearly 250 categorized geothermal fields, we found that step-overs or relay ramps in normal fault zones are the most favorable setting, hosting ~32% of the systems. Such areas are characterized by multiple, commonly overlapping fault strands, increased fracture density, and thus enhanced permeability. Other common settings include a) normal fault terminations (25%), where horse-tailing generates a myriad of closely-spaced faults and thus increased permeability; and b) fault intersections between two normal faults or between normal faults and transverse oblique-slip faults (22%), where multiple minor faults typically connect major structures and fluids can flow readily through highly fractured, dilational quadrants. Less common settings include: a) accommodation zones (9%); b) displacement transfer zones (5%); c) pull-aparts in strike-slip faults (3%); d) bends in normal faults (2%); and e) major range-front normal faults (1%). Pull-aparts and displacement transfer zones are more abundant in the transtensional western part of the Great Basin. Quaternary faults typically lie within or near most of the geothermal systems. Geothermal systems are rare along major range-front faults, possibly due to both reduced permeability in thick zones of clay gouge and periodic release of stress in major earthquakes. Step-overs, terminations, intersections, and accommodation zones correspond to long-term, critically stressed areas, where fluid pathways would more likely remain open in networks of closely-spaced, breccia-dominated fractures. Notably, many higher enthalpy systems are hybrids and contain more than one type of favorable setting (e.g. fault intersection within broad accommodation zone). These data can guide exploration strategies, especially for blind or hidden systems.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Solvent-Dependent Dynamics of Cellulose Nanocrystals in Process-Relevant Flow Fields

Flow-assisted alignment of anisotropic nanoparticles is a promising route for the bottom-up assembly of advanced materials with tunable properties. While aligning processes could be optimized by controlling factors such as solvent viscosity, flow deformation, and the structure of the particles themselves, it is necessary to understand the relationship between these factors and their effect on the final orientation. In this study, we investigated the flow of surface-charged cellulose nanocrystals (CNCs) with the shape of a rigid rod dispersed in water and propylene glycol (PG) in an isotropic tactoid state. In situ scanning small-angle X-ray scattering (SAXS) and rheo-optical flow-stop experiments were used to quantify the dynamics, orientation, and structure of the assigned system at the nanometer scale. The effects of both shear and extensional flow fields were revealed in a single experiment by using a flow-focusing channel geometry, which was used as a model flow for nanomaterial assembly. Due to the higher solvent viscosity, CNCs in PG showed much slower Brownian dynamics than CNCs in water and thus could be aligned at lower deformation rates. Moreover, CNCs in PG also formed a characteristic tactoid structure but with less ordering than CNCs in water owing to weaker electrostatic interactions. The results indicate that CNCs in water stay assembled in the mesoscale structure at moderate deformation rates but are broken up at higher flow rates, enhancing rotary diffusion and leading to lower overall alignment. Albeit being a study of cellulose nanoparticles, the fundamental interplay between imposed flow fields, Brownian motion, and electrostatic interactions likely apply to many other anisotropic colloidal systems.

36 MATERIALS SCIENCE↗