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DOE OSTI2018

Early burial mud diapirism and its impact on stratigraphic architecture in the Carboniferous of the Shannon Basin, County Clare, Ireland

Delta fronts are often characterized by high rates of sediment supply that result in unstable slopes and a wide variety of soft-sediment deformation, including the formation of overpressured and mobile muds that may flow plastically during early burial, potentially forming mud diapirs. The coastal cliffs of County Clare, western Ireland, expose Pennsylvanian (Namurian) delta-front deposits of the Shannon Basin at large scale and in three dimensions. These deposits include decametre-scale, internally chaotic mudstone masses that clearly impact the surrounding sedimentary strata. Evidence indicates that these were true mud (unlithified sediment) diapirs that pierced overlying strata. This study documents a well-exposed ca 20 m tall mud diapir and its impact on the surrounding mouth-bar deposits of the Tullig Cyclothem. A synsedimentary fault and associated rollover dome, evident from stratal thicknesses and the dip of the beds, define one edge of the diapir. These features are interpreted as recording the reactive rise of the mud diapir in response to extensional faulting along its margin. Above the diapir, heterolithic sandstones and siltstones contain evidence for the creation of localized accommodation, suggesting synsedimentary filling, tilting and erosion of a shallow sag basin accommodated by the progressive collapse of the diapir. Two other diapirs are investigated using three-dimensional models built from ‘structure from motion’ drone imagery. Both diapirs are interpreted to have grown predominantly through passive rise (downbuilding). Stratal relationships for all three diapirs indicate that they were uncompacted and fluid-rich mud beds that became mobilized through soft-sediment deformation during early burial (i.e. <50 m, likely <10 m depth). Each diapir locally controlled the stratigraphic architecture in the shallow subsurface and potentially influenced local palaeocurrents on the delta. The mud diapirs studied herein are distinct from deeper ‘shale diapirs’ that have been inferred from seismic sections worldwide, now largely disputed.

defects, mechanical behavior, carbon sequestration↗

DOE OSTI2021

Composite entanglement topology and extensional rheology of symmetric ring-linear polymer blends

Extensive molecular simulations are applied to characterize the equilibrium dynamics, entanglement topology, and nonlinear extensional rheology of symmetric ring-linear polymer blends with systematically varied ring fraction ϕR. Chains with degree of entanglement Z≈14 are mixed to produce 10 well-entangled systems with ϕR varying from neat linear to neat ring melts. Z is large enough that except for very large ϕR, the rings are threaded by multiple linear chains in equilibrium. Primitive path analysis is used to visualize and quantify the structure of the composite ring-linear entanglement network. We measure the quantity of ring-linear threading and linear-linear entanglement as a function of ϕR and identify with simple arguments a ring fraction ϕR≈0.4 where the topological constraints of the composite entanglement network are maximized. These topological analyses are used to rationalize the ϕR-dependence of ring and linear chain dynamics, conformations, and rheology. Simulations of startup uniaxial elongation flows demonstrate the extensional stress overshoot observed in recent filament stretching experiments and characterize how it depends on the blend composition and entanglement topology. The overshoot is driven by an overstretching and recoil of ring polymers due to the convective unthreading of rings from linear chains.

O’Connor, Thomas C.↗

DOE OSTI2016

Regional quantitative play fairway analysis: methodology global examples and application for the East African Rift system

Most volcanic arcs and active rifts around the world host producing geothermal systems. Many undiscovered and/or undeveloped systems remain in each of these areas, including magmatic-heated systems, amagmatic extension-related systems, and blind resources lacking active surface manifestations in both types of settings. However, not all volcanic centers or extensional terranes have the same geothermal potential. For example, even when high heat flow is present, permeability is commonly a limiting factor to resource development. A tool recently adapted for the geothermal industry is play fairway analysis, which calculates the regional probability of power-capable resources based on the spatial coincidence of key geologic conditions. In a geothermal setting, these key geologic conditions are heat, permeability, and fluids. Higher enthalpy systems also benefit from suitable cap rock. These parameters can be assessed through multiple geologic, geochemical, and geophysical data sets and integrated quantitatively to produce a single geothermal play fairway map. Potential input data sets include but are not limited to: 1) tectonic setting; 2) structural setting; 3) faults attributed by recency of rupture and slip rate; 3) geodetic crustal stain models; 5) gravity; 6) earthquake distribution; 7) thermal models; 8) geochemistry from springs, wells, and fumaroles; 9) temperature from springs, wells, and fumaroles; 10) fumarole size and type; and 11) age of volcanism. Recent play fairway studies have been completed for volcanic arcs and the dominantly amagmatic, extensional Great Basin region, USA, but have yet to be applied to the East African Rift System (EARS). Previous estimates of total geothermal resource capacity in the EARS is ~20 GWe, but only three areas are currently in production as of 2015: Olkaria and Eburru in Kenya, and Aluto-Langano in Ethiopia for a total installed capacity of <0.7 GWe. Many more volcanic centers host potential resources. In addition, amagmatic and/or blind systems also have potential in the EARS. Play fairway analysis can highlight regions most prospective for geothermal resource development, help identify locations prospective for undiscovered resources, prioritize overall exploration and development efforts, and refine estimates for total undeveloped resource potential.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Discovery and analysis of a blind geothermal system in southeastern Gabbs Valley, Western Nevada

This study assessed the potential for high-temperature (≥130°C) blind geothermal systems in southeastern Gabbs Valley by employing a geothermal play fairway analysis approach involving integration of geologic, geophysical, and geochemical datasets. Gabbs Valley is a complex, tectonically active basin within the Great Basin on the boundary between the transtensional central Walker Lane domain and extensional Basin and Range province. The termination of the Petrified Springs fault, a major dextral fault of the central Walker Lane, in an array of normal faults indicates that southeastern Gabbs Valley occupies a displacement transfer zone, which is a favorable structural setting for geothermal activity. The displacement transfer zone is a structurally complicated area with many faults of varying geometries, kinematics, and ages. A substantial northwest-trending gravity high within the south-central part of southeastern Gabbs Valley is produced from offsets along concealed northwest-striking dextral-normal faults that intersect strands of north-northeast-to east-northeast-striking normal faults. This area of tightly spaced faults and fault intersections is a particularly favorable structural setting within the broader-scale displacement transfer zone. Multiple lines of direct and indirect evidence suggest the presence of a relatively high-temperature (≥130°C) blind geothermal system in this area, including collocated intersecting gravity gradients, magnetic-low, low-resistivity, and 2-m temperature anomaly. Potentially related, water samples from agricultural wells ~7 km northwest of the 2-m anomaly yield geothermometers indicating subsurface fluid temperatures of 130-140°C. Six temperature-gradient holes were drilled to target the extent of the shallow-temperature and geophysical anomalies to define the geothermal system in southeastern Gabbs Valley. Two wells contained high temperatures exceeding boiling with bottom-hole temperatures ii of 114.5°C and 124.9°C, respectively, and the remaining wells displayed elevated to background temperatures ranging from 79.2°C to 28.7°C. The observed temperature gradients for the two hottest drill holes necessitate drill-hole intercepts of convecting hydrothermal fluids. The 2-m survey is spatially and thermally consistent with the temperature-gradient holes and constrains the core of upflow at a shallow depth interval (<250m) to an area <0.5-1 km west-southwest of the hottest drill hole. The zone of inferred upwelling occupies the area corresponding to the center of the magnetic-low. This project has several significant implications. The newly discovered blind geothermal system in southeastern Gabbs Valley may be capable of supporting a binary-type geothermal power plant. This detailed study provides an initial validation of the play fairway approach to geothermal exploration. It also demonstrates both the broad applicability of the play fairway exploration strategy and the large untapped potential for commercial-grade blind geothermal systems in many of the basins in the Great Basin region.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

Manipulation and statistical analysis of the fluid flow of polymer semiconductor solutions during meniscus-guided coating

Recent work in structure–processing relationships of polymer semiconductors have demonstrated the versatility and control of thin-film microstructure offered by meniscusguided coating (MGC) techniques. Here, we analyze the qualitative and quantitative aspects of solution shearing, a model MGC method, using coating blades augmented with arrays of pillars. The pillars induce local regions of high strain rates—both shear and extensional—not otherwise possible with unmodified blades, and we use fluid mechanical simulations to model and study a variety of pillar spacings and densities. We then perform a statistical analysis of 130 simulation variables to find correlations with three dependent variables of interest: thin-film degree of crystallinity and transistor field-effect mobilities for charge-transport parallel (Μ para ) and perpendicular (Μ perp ) to the coating direction. Our study suggests that simple fluid mechanical models can reproduce substantive correlations between the induced fluid flow and important performance metrics, providing a methodology for optimizing blade design.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Mesophase Structure-Enabled Electrostrictive Property in Nylon-12-Based Poly(ether- block -amide) Copolymers

In this work, to search for alternative electrostrictive polymers and to understand the underlying mechanism, the structure-ferroelectric/electrostrictive property relationship for nylon-12-based poly(ether-b-amide) multiblock copolymers (PEBAX) is investigated. Two PEBAX samples are studied, namely, P6333 and P7033 with 37 and 25 mol.% of soft poly(tetramethylene oxide) (PTMO) blocks, respectively. In both samples, poorly hydrogen-bonded mesophase facilitates electric field-induced ferroelectric switching. Meanwhile, the longitudinal electrostrictive strain (S 1 )–electric field (E) loops are obtained at 2 Hz. Different from conventional poly(vinylidene fluoride-co-trifluoroethylene) [P(VDF-TrFE)]-based terpolymers, uniaxially stretched nylon-12-based PEBAX samples exhibit negative S 1 , that is, shrinking rather than elongation in the longitudinal direction. Additionally, this is attributed to the unique conformation transformation of nylon-12 crystals during ferroelectric switching. Namely, at a zero electric field, crystalline nylon-12 chains adopt a more or less antiparallel arrangement of amide groups. Upon high-field poling, ferroelectric domains are enforced with more twisted chains adopting a parallel arrangement of amide groups. Meanwhile, extensional S 1 is observed for P6333 at electric fields above 150 MV m -1 . This is attributed to the elongation of the amorphous phases (i.e., amorphous nylon-12 and PTMO). Therefore, competition between shrinking S 1 from mesomorphic nylon-12 crystals (i.e., nanoactuation) and elongational S 1 from amorphous phases determines the ultimate electrostriction behavior in stretched PEBAX films.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Novel Coupled Thermochronometric and Geochemical Investigation of Blind Geothermal Resources in Fault-Controlled Dilational Corners

Geothermal plays in extensional and transtensional tectonic environments have long been a major target in the exploration of geothermal resources and the Dixie Valley area has served as a classic natural laboratory for this type of geothermal plays. In recent years, the interactions between normal faults and strike-slip faults, acting either as strain relay zones have attracted significant interest in geothermal exploration as they commonly result in fault-controlled dilational corners with enhanced fracture permeability and thus have the potential to host blind geothermal prospects. Structural ambiguity, complications in fault linkage, etc. often make the selection for geothermal exploration drilling targets complicated and risky. Though simplistic, the three main ingredients of a viable utility-grade geothermal resource are heat, fluids, and permeability. Our new geological mapping and fault kinematic analysis derived a structural model suggest a two-stage structural evolution with (a) middle Miocene N -S trending normal faults (faults cutting across the modern range), - and tiling Olio-Miocene volcanic and sedimentary sequences (similar in style to East Range and S Stillwater Range). NE-trending range-front normal faulting initiated during the Pliocene and are both truncating N-S trending normal faults and reactivating some former normal faults in a right-lateral fashion. Thus the two main fundamental differences to previous structural models are (1) N-S trending faults are pre-existing middle Miocene normal faults and (2) these faults are reactivated in a right-later fashion (NOT left-lateral) and kinematically linked to the younger NE-trending range-bounding normal faults (Pliocene in age). More importantly, this study provides the first constraints on transient fluid flow through the novel application of apatite (U-Th)/He (AHe) and 4 He/ 3 He thermochronometry in the geothermally active Dixie Valley area in Nevada.

(U-Th)/He↗

DOE OSTI2016

A phononic crystal strip based on silicon for support tether applications in silicon-based MEMS resonators and effects of temperature and dopant on its band gap characteristics

Phononic crystals (PnCs) and n-type doped silicon technique have been widely employed in silicon-based MEMS resonators to obtain high quality factor (Q) as well as temperature-induced frequency stability. For the PnCs, their band gaps play an important role in the acoustic wave propagation. Also, the temperature and dopant doped into silicon can cause the change in its material properties such as elastic constants, Young’s modulus. Therefore, in order to design the simultaneous high Q and frequency stability silicon-based MEMS resonators by two these techniques, a careful design should study effects of temperature and dopant on the band gap characteristics to examine the acoustic wave propagation in the PnC. Based on these, this paper presents (1) a proposed silicon-based PnC strip structure for support tether applications in low frequency silicon-based MEMS resonators, (2) influences of temperature and dopant on band gap characteristics of the PnC strips. The simulation results show that the largest band gap can achieve up to 33.56 at 57.59 MHz and increase 1280.13 % (also increase 131.89 % for ratio of the widest gaps) compared with the counterpart without hole. The band gap properties of the PnC strips is insignificantly effected by temperature and electron doping concentration. Also, the quality factor of two designed length extensional mode MEMS resonators with proposed PnC strip based support tethers is up to 1084.59% and 43846.36% over the same resonators with PnC strip without hole and circled corners, respectively. This theoretical study uses the finite element analysis in COMSOL Multiphysics and MATLAB softwares as simulation tools. This findings provides a background in combination of PnC and dopant techniques for high performance silicon-based MEMS resonators as well as PnC-based MEMS devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Modeling of surface mechanical behaviors of soft elastic solids: theory and examples

Surfaces of soft solids can have significant surface stress, extensional modulus and bending stiffness. Previous theoretical studies have usually examined cases in which both the surface stress and bending stiffness are constant, assuming small deformation. In this work we consider a general formulation in which the surface can support large deformation and carry both surface stresses and surface bending moments. We show that the large deformation theory can be reduced to the classical linear theory (Shuttleworth equation). We obtain exact solutions for problems of an inflated cylindrical shell and bending of a plate with a finite thickness. Our analysis illustrates the different manners in which surface stiffening and surface bending stabilize these structures. We discuss how the complex surface constitutive behaviors affect the stress field of the bulk. Our calculation provides insights into effects of strain-dependent surface stress and surface bending in the large deformation regime, and can be used as a model to implement surface finite elements to study large deformation of complex structures.

36 MATERIALS SCIENCE↗

DOE OSTI2018

A Revisit to the Notation of Martensitic Crystallography

As one of the most successful crystallographic theories for phase transformations, martensitic crystallography has been widely applied in understanding and predicting the microstructural features associated with structural phase transformations. In a narrow sense, it was initially developed based on the concepts of lattice correspondence and invariant plane strain condition, which is formulated in a continuum form through linear algebra. However, the scope of martensitic crystallography has since been extended; for example, group theory and graph theory have been introduced to capture the crystallographic phenomena originating from lattice discreteness. In order to establish a general and rigorous theoretical framework, we suggest a new notation system for martensitic crystallography. The new notation system combines the original formulation of martensitic crystallography and Dirac notation, which provides a concise and flexible way to understand the crystallographic nature of martensitic transformations with a potential extensionality. A number of key results in martensitic crystallography are reexamined and generalized through the new notation.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Heart Shape to Fracture Distance: Characterizing Hydraulic Fracture Propagation before Hits

Estimating the distance from the hydraulic fracture tip to the monitor well can be useful for fracture characterization, well spacing optimization, and preventing parent-child well interference. A heart-shaped signal is referred to as the extensional precursor of a fracture hit recorded by crosswell strain measurements and can serve as a vital tool for such estimation. This study incorporates the 3D displacement discontinuity method (DDM) to understand the impact of fracture geometry and monitor well offset on the heart-shaped signal’s characteristics. Results from numerical simulation and analytical solutions reveal a strong linear correlation between the spatial extent of the heart-shaped signal and the fracture tip distance. This relationship was further developed to predict tip distance using field data from the Hydraulic Fracture Test Site 2 (HFTS2). A reasonable approximation result from field data further validates the methodology. In addition, it is worth noting that the estimation accuracy depends on the ratio between fracture dimension and tip distance. The findings of this study offer a novel approach for real-time monitoring and characterizing hydraulic fracture propagation, which can be further used for well spacing optimization in unconventional and enhanced geothermal system reservoir development, as well as caprock integrity monitoring for carbon sequestration projects.

58 GEOSCIENCES↗