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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Engineering Bacteria to Catabolize the Carbonaceous Component of Sarin: Teaching E. coli to Eat Isopropanol

In this paper, we report an engineered strain of Escherichia coli that catabolizes the carbonaceous component of the extremely toxic chemical warfare agent sarin. Enzymatic decomposition of sarin generates isopropanol waste that, with this engineered strain, is then transformed into acetyl-CoA by enzymatic conversion with a key reaction performed by the acetone carboxylase complex (ACX). We engineered the heterologous expression of the ACX complex from Xanthobacter autotrophicus PY2 to match the naturally occurring subunit stoichiometry and purified the recombinant complex from E. coli for biochemical analysis. Incorporating this ACX complex and enzymes from diverse organisms, we introduced an isopropanol degradation pathway in E. coli, optimized induction conditions, and decoupled enzyme expression to probe pathway bottlenecks. Our engineered E. coli consumed 65% of isopropanol compared to no-cell controls and was able to grow on isopropanol as a sole carbon source. Finally, in the process, reconstitution of this large ACX complex (370 kDa) in a system naïve to its structural and mechanistic requirements allowed us to study this otherwise cryptic enzyme in more detail than would have been possible in the less genetically tractable native Xanthobacter system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Macromolecular Crowding Induces Spatial Correlations That Control Gene Expression Bursting Patterns

Recent superresolution microscopy studies in E. coli demonstrate that the cytoplasm has highly variable local concentrations where macromolecular crowding plays a central role in establishing membrane-less compartmentalization. This spatial inhomogeneity significantly influences molecular transport and association processes central to gene expression. Yet, little is known about how macromolecular crowding influences gene expression bursting—the episodic process where mRNA and proteins are produced in bursts. Here, we simultaneously measured mRNA and protein reporters in cell-free systems, showing that macromolecular crowding decoupled the well-known relationship between fluctuations in the protein population (noise) and mRNA population statistics. Crowded environments led to a 10-fold increase in protein noise even though there were only modest changes in the mRNA population and fluctuations. Instead, cell-like macromolecular crowding created an inhomogeneous spatial distribution of mRNA (“spatial noise”) that led to large variability in the protein production burst size. As a result, the mRNA spatial noise created large temporal fluctuations in the protein population. Furthermore, these results highlight the interplay between macromolecular crowding, spatial inhomogeneities, and the resulting dynamics of gene expression, and provide insights into using these organizational principles in both cell-based and cell-free synthetic biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Catalytic Performance and Near-Surface X-ray Characterization of Titanium Hydride Electrodes for the Electrochemical Nitrate Reduction Reaction

The electrochemical nitrate reduction reaction (NO3RR) on titanium introduces significant surface reconstruction and forms titanium hydride (TiH x , 0 < x ≤ 2). With ex situ grazing-incidence X-ray diffraction (GIXRD) and X-ray absorption spectroscopy (XAS), we demonstrated near-surface TiH2 enrichment with increasing NO3RR applied potential and duration. This quantitative relationship facilitated electrochemical treatment of Ti to form TiH 2 /Ti electrodes for use in NO3RR, thereby decoupling hydride formation from NO 3 RR performance. A wide range of NO 3 RR activity and selectivity on TiH2/Ti electrodes between -0.4 and -1.0 VRHE was observed and analyzed with density functional theory (DFT) calculations on TiH 2 (111). Finally, this work underscores the importance of relating NO 3 RR performance with near-surface electrode structure to advance catalyst design and operation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Atomistic Origin of Microsecond Carrier Lifetimes at Perovskite Grain Boundaries: Machine Learning-Assisted Nonadiabatic Molecular Dynamics

The polycrystalline nature of perovskites, stemming from their facile solution-based fabrication, leads to a high density of grain boundaries (GBs) and point defects. However, the impact of GBs on perovskite performance remains uncertain, with contradictory statements found in the literature. We developed a machine learning force field, sampled GB structures on a nanosecond time scale, and performed nonadiabatic (NA) molecular dynamics simulations of charge carrier trapping and recombination in stoichiometric and doped GBs. The simulations reveal long, microsecond carrier lifetimes, approaching experimental data, stemming from charge separation at the GBs and small NA coupling, 0.01–0.1 meV. Stoichiometric GBs exhibit transient trap states, which, however, are not particularly detrimental to the carrier lifetime. Halide dopants form interstitial defects in the bulk, but have a stabilizing influence on the GB structure by passivating undersaturated Pb atoms and reducing the transient trap state formation. On the contrary, excess Pb destabilizes GBs, allowing formation of persistent midgap states that trap charges. Still, the charge carrier lifetime reduces relatively little, because the midgap states decouple from the bands, and charges are more likely to escape back into bands upon a GB structural fluctuation. The atomistic study into the structural dynamics of perovskite GBs and its influence on charge carrier trapping and recombination provides valuable insights into the complex properties of perovskites and the intricate role of GBs in the material performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Structural and Electronic Tuning of Luminescent Zn II Complexes Based on an o -Terphenyl Ligand Motif

Here, the structural and photophysical properties of five chiral Zn complexes incorporating a carbazolate (Cz) donor that is electronically decoupled from a pyridyl acceptor by an ortho -connection to a bridging phenylene group are presented. The bidentate ligand in the unsubstituted bis-ligated parent complex was methylated at key positions to constrain the torsional freedom of the donor/acceptor moieties, resulting in three structurally modified bis-ligated derivatives, all exhibiting energy gaps between the singlet and triplet excited states (ΔE ST ) between 22 and 27 meV. Methylation improves the photoluminescence quantum yield (up to 30% in solution), while the low ΔE ST of these complexes allows for dual-emission properties in all of the bis-ligated derivatives. Structural modification of the Cz/pyridyl ligand was also investigated by linking the unsubstituted bidentate ligand to generate a tetradentate, tetrapodal ligand. The solution-state structure of the tetradentate ligand is similar in its free and ligated forms, featuring a binding site reminiscent of enzymes and metal-sequestering ligands. The resulting tetradentate complex [Zn(N 2 R 2 )] shows enhanced through-bond conjugation, increasing the ΔE ST to 89 meV, thereby eliminating the dual-emission characteristics of the bis-ligated complexes. Furthermore, this complex shows a 50-fold improvement in hydrolytic stability in organic solution relative to the parent complex. These compounds and their analyses are intended to enrich the understanding of compounds exhibiting through-space charge transfer and guide the search for earth-abundant metal complexes for applications in photosensitization and luminescence.

aromatic compounds↗
DOE OSTI2025

Diffusion Model-Guided Inverse Design of Bimetallic Catalysts for Ammonia Decomposition

In the past decade, artificial intelligence and deep learning have played increasingly prominent roles in materials design and discovery. Among these, generative AI models, known for their ability to create unique and complex structures, have emerged as state-of-the-art tools for materials screening due to their high efficiency and low computational cost. In catalysis, one of the major challenges is identifying promising material candidates within an immense chemical space. This challenge can be addressed using generative approaches, such as diffusion-based inverse design models. In this study, we present a machine learning-guided workflow that employed a diffusion model for the inverse design of bimetallic alloy catalysts for low-carbon ammonia decomposition, a key reaction for ammonia emission control and sustainable hydrogen production. Catalyst candidates were evaluated using nitrogen adsorption energy as the key descriptor, inspired by multiscale modeling. The proposed workflow identified low-cost, environmentally friendly catalysts with excellent catalytic performance, which have been validated theoretically and experimentally. Our framework decoupled the generative and property-prediction components, enhancing both flexibility and accuracy in the catalytic material design process.

Adsorption↗
DOE OSTI2025

Interfacial Cation Arrangement Controls Electrocatalytic Kinetics in CO 2 Reduction

The identity of electrolyte cations is known to strongly influence electrocatalytic activity, but the relationship between their interfacial arrangement and observed performance remains poorly understood. Organic cations, with their molecular tunability, provide a powerful platform for systematically probing these effects. Here, we leverage phosphonium-based geminal dications to control interfacial cation arrangement and identify the variables that most strongly influence catalytic rates. As a case study, we examine CO 2 reduction to CO over polycrystalline silver electrodes in dry aprotic acetonitrile. Through a combination of rotating disk electrode measurements, electrochemical impedance spectroscopy, and molecular dynamics simulations, we decouple the effects of cation–electrode distance and interfacial cation density on catalytic rates. We find that smaller, more densely packed cations induce stronger interfacial electric fields, which lower the activation barrier for CO 2 adsorption and increase reaction rates. Using geminal phosphonium dications [C n (P mmm ) 2 ][ClO 4 ] 2 , we demonstrate that both the vertical and lateral positioning of organic cations within the electrical double layer independently affect reactivity. These results demonstrate that electrolyte cation identity primarily influences catalytic kinetics by determining how efficiently charge can be arranged at electrochemical interfaces. Altogether, our findings support an electrostatic view of cation effects in catalysis and provide design principles for next-generation electrolytes.

Cations↗
DOE OSTI2026

Why Seeding Works When Nucleation Barriers Vanish

Crystallization is a process governed by the interplay between nucleation and growth. While crystalline seeds are known to reduce nucleation barriers and accelerate crystallization under nucleation-limited conditions, their influence when nucleation is not the limiting step remains poorly understood. This creates a mechanistic puzzle in systems where nucleation barriers are already negligible, yet seeding still accelerates crystallization. Here, the synthesis of zeolites is a quintessential example of growth-limited crystallization in which seeds accelerate the process despite negligible homogeneous nucleation barriers. Using coarse-grained molecular dynamics simulations─validated across two zeolites and the unrelated case of ice crystallization─we establish that growth-limited crystallization produces many small, misoriented crystallites whose slow coarsening into larger domains controls the emergence of X-ray-detectable crystallinity. Local crystalline order, structural coherence, and X-ray detectability are therefore kinetically decoupled milestones: the first can be reached rapidly while the latter two lag significantly. Seeds resolve this lag by imposing a common orientational registry on nascent crystallites, enabling their coherent coalescence into large seed-bound domains. This early coherence-building step produces a crystallite-size asymmetry that accelerates subsequent coarsening, advancing the onset of X-ray-detectable crystallinity without necessarily increasing the nucleated fraction. We conclude that under growth-limited conditions, the apparent induction period observed in powder X-ray diffraction reflects the time required to build long-range coherence, not the time to form crystalline material. Accordingly, seeds function not primarily by reducing nucleation barriers but by enforcing spatial coherence, thereby shortening the time required to develop long-range order detectable by X-ray diffraction.

Growth-Limited Crystallization↗
DOE OSTI2026

High-Rate, Selective Electrosynthesis of Cyclohexanone Oxime via In Situ Generation and Release of Hydroxylamine on Bismuth

Oxime compounds are key industrial intermediates for nylon precursors and commodity chemicals. However, conventional routes rely on multistep reactions and hydroxylamine (NH 2 OH) salts, raising significant safety and sustainability concerns. Although electrosynthesis offers an alternative, oxime formation on d-block transition metals suffers from poor selectivity, as nitrogen oxyanion intermediates bind strongly to the surface and are readily over-reduced to ammonia. Here, we report morphology-controlled p-block bismuth rhombic dodecahedra (Bi RDs) that promote in situ NH 2 OH generation and its desorption into the electrolyte, enabling an electrochemical-chemical decoupled route for cyclohexanone oxime (CHO) synthesis. Bi RDs deliver nearly 100% Faradaic efficiency (FE) at −0.5 V vs. RHE and a yield of 1.4 mmol h –1 cm –2 at −0.9 V vs. RHE in an H-cell, while maintaining a CHO selectivity of nearly 100% at 100 mA cm –2 in a flow cell. Under identical conditions, d-block electrodes (Cu, Pd, Ag) show FE below 30%. Density functional theory calculations reveal that Bi 6p orbital-derived surface states weaken intermediate binding and facilitate NH 2 OH desorption, suppressing over-reduction. Kinetic analysis, post-addition trapping experiments, and in situ ATR-FTIR and Raman spectroscopy suggest the following reaction mechanism: NH 2 OH is selectively generated at the electrode surface, released as a freely diffusing intermediate, and undergoes homogeneous condensation with cyclohexanone in the bulk electrolyte, bypassing the surface-confined Langmuir–Hinshelwood pathway. These findings demonstrate that regulating intermediate desorption through p-block orbital chemistry provides a general strategy for achieving high selectivity in electro-organic nitrogen synthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

The Role of Repulsion in Colloidal Crystal Engineering with DNA

Hybridization interactions between DNA-functionalized nanoparticles (DNA-NPs) can be used to program the crystallization behavior of superlattices, yielding access to complex three-dimensional structures with more than 30 different lattice symmetries. The first superlattice structures using DNA-NPs as building blocks were identified almost two decades ago, yet the role of repulsive interactions in guiding structure formation is still largely unexplored. Here, a com-prehensive approach is taken to study the role of repulsion in the assembly behavior of DNA-NPs, enabling the calculation of interparticle interaction potentials based on experimental results. In this work, we used two different means to assemble DNA-NPs—Watson-Crick base pairing interactions and depletion interactions—and systematically varied the salt concen-tration to study the effective interactions in DNA-NP superlattices. A comparison between the two systems allows us to decouple the repulsive forces from the attractive hybridization interactions that are sensitive to the ionic environment. We find that the gap distance between adjacent DNA-NPs follows a simple power law dependence on solution ionic strength regardless of the type of attractive forces present. This result suggests that the observed trend is driven by repulsive inter-actions. To better understand such behavior, we propose a mean-field model that provides a mathematical description for the observed trend. This model shows that the trend is due to the variation in the effective cross-sectional diameter of DNA duplex and the thickness of DNA shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

The “Missing” Bicarbonate in CO 2 Chemisorption Reactions on Solid Amine Sorbents

We have identified a hydrated bicarbonate formed by chemisorption of 13 CO 2 on both dimethylaminopropylsilane (DMAPS) and aminopropylsilane (APS) pendant molecules grafted on SBA-15 mesoporous silica. The most commonly used sequence in solid-state NMR, 13 C CPMAS, failed to detect bicarbonate in these solid amine sorbent samples; here, we have employed a Bloch decay (“pulse-acquire”) sequence (with 1 H decoupling) to detect such species. The water that is present contributes to the dynamic motion of the bicarbonate product, thwarting CPMAS but enabling direct 13 C detection by shortening the spin–lattice relaxation time. Since solid-state NMR plays a major role in characterizing chemisorption reactions, these new insights that allow for the routine detection of previously elusive bicarbonate species (which are also challenging to observe in IR spectroscopy) represent an important advance. We note that employing this straightforward NMR technique can reveal the presence of bicarbonate that has often otherwise been overlooked, as demonstrated in APS, that has been thought to only contain adsorbed CO 2 as carbamate and carbamic acid species. As in other systems (e.g., proteins), dynamic species that sample multiple environments tend to broaden as their motion is frozen out. In this paper, we show two distinct bicarbonate species upon freezing, and coupling to different protons is shown through preliminary 13 C– 1 H HETCOR measurements. This work demonstrates that bicarbonates have likely been formed in the presence of water but have gone unobserved by NMR due to the nature of the experiments most routinely employed, a perspective that will transform the way the sorption community will view CO 2 capture by amines.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Microseismicity cloud can be substantially larger than the associated stimulated fracture volume: the case of the Paralana Enhanced Geothermal System

Here, the goal of hydraulic stimulation is to increase formation permeability in the near vicinity of a well. However, there remain technical challenges around measuring the outcome of this operation. During two Enhanced Geothermal System (EGS) stimulations in South Australia, Paralana in 2011 and Habanero in 2003, extensive catalogs of microseismicity were recovered. It is often assumed that shear failure of existing fractures is the main mechanism behind both the induced earthquakes and any permeability enhancement. This underpins a common notion, that the seismically active volume is also the stimulated reservoir. In this paper, we compute the density of earthquake hypocenters and provide evidence that, under certain conditions, this spatiotemporal quantity is a reasonable proxy for pore pressure increase. We then apply an inverse modeling approach that uses the earthquake observations and a modified reservoir simulator to estimate the parameters of a permeability evolution relation. The regime implied by the data indicates that most permeability enhancement occurred very near to the wellbore and was not coincident with the bulk of the seismicity, whose volume was about two orders of magnitude larger. Thus, we conclude that, in some cases, it is possible for permeability enhancement and induced seismicity to be decoupled, in which case the seismically active volume is a poor indicator of the stimulated reservoir. Our results raise serious questions about the effectiveness of hydroshearing as a stimulation mechanism in EGS. Finally, this study extends our understanding of the complex processes linking earthquakes, fluid pressure, and permeability in both natural and engineered settings.

58 GEOSCIENCES↗
DOE OSTI2018

Variations in Gas and Water Pulses at an Arctic Seep: Fluid Sources and Methane Transport

Methane fluxes into the oceans are largely dependent on the methane phase as it migrates upward through the sediments. Here we document decoupled methane transport by gaseous and aqueous phases in Storfjordrenna (offshore Svalbard) and propose a three-stage evolution model for active seepage in the region where gas hydrates are present in the shallow subsurface. In a preactive seepage stage, solute diffusion is the primary transport mechanism for methane in the dissolved phase. Fluids containing dissolved methane have high 87 Sr/ 86 Sr ratios due to silicate weathering in the microbial methanogenesis zone. During the active seepage stage, migration of gaseous methane results in near-seafloor gas hydrate formation and vigorous seafloor gas discharge with a thermogenic fingerprint. In the postactive seepage stage, the high concentration of dissolved lithium points to the contribution of a deeper-sourced aqueous fluid, which we postulate advects upward following cessation of gas discharge.

58 GEOSCIENCES↗
DOE OSTI2018

The Relationships Between Cloud Top Radiative Cooling Rates, Surface Latent Heat Fluxes, and Cloud-Base Heights in Marine Stratocumulus

Cloud top radiative cooling (CTRC) drives turbulence in marine boundary layers (MBLs) topped by stratocumulus clouds. This study examines the role of CTRC in regulating the surface-cloud coupling, surface latent heat fluxes, and cloud base height by exploiting a 6-month worth of shipborne observations over the subtropical northeast Pacific in combination with geostationary satellite data. We find that owning to the prevailing equatorward flow that advects stratocumulus clouds over warmer sea surfaces, the vast majority of the decoupled stratocumulus decks are fed by divergence from the tops of underlying cumulus, forming cumulus-coupled MBL. The cumulus-coupled and well-mixed MBL dominate the subtropical MBL regimes. We find that strong CTRC favors greater (smaller) occurrence frequency of well-mixed (cumulus-coupled) MBLs. In well-mixed MBLs, strong CTRC enhances entrainment of dry free-tropospheric air, desiccates the MBL, increases the surface latent heat fluxes, and elevates the cloud-base height. This is demonstrated by the observed covariabilities between the CTRC rate and surface latent heat fluxes and cloud-base height. The relationships are more statistically significant in conditions where the inversion strength is relatively weak, and thus, the entrainment is more effective. In cumulus-coupled MBLs, however, the influence of CTRC in regulating the surface moisture is not detected by the ship observations. The much greater latent heat fluxes than the CTRC rate in cumulus-coupled MBLs suggest stronger surface forcing, which substantially tames the footprint of CTRC.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Distinct Turbulence Structures in Stably Stratified Boundary Layers With Weak and Strong Surface Shear

Turbulence structures and exchange of momentum and heat in the nocturnal stable boundary layer (SBL) show distinct features under different stability conditions prompting interest in their connection. Here eddy covariance data collected at four different heights on a 62-m meteorological tower over a large open flat terrain are used to characterize different SBL states and associated turbulence structures. In a SBL characterized by strong near-surface winds, turbulent eddy sizes scale with their observational heights and the SBL experiences enhanced turbulent mixing of momentum and heat throughout (a state hereafter referred to as a “coupled” state). Conversely, in a decoupled SBL, weak winds occur near the surface and turbulent eddies are depressed and detached from the boundary leading to suppressed vertical mixing and layered SBL profiles. Because the transport of momentum and heat to the surface across SBL layers is determined by turbulent eddies, cross-layer correlation and the aforementioned SBL coupling states can be delineated by distinct turbulence structures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Mechanisms Behind the Extratropical Stratiform Low-Cloud Optical Depth Response to Temperature in ARM Site Observations

Ground-based observations from three middle- and high-latitude sites managed by the U.S. Department of Energy's Atmospheric Radiation Measurement (ARM) program are used to determine the sensitivity of the low-cloud optical depth to temperature and to test whether observations support mechanisms previously proposed to affect the optical depth feedback. Analysis of cloud optical depth retrievals support previous satellite findings that the optical depth decreases or stays constant with increases in temperature when the cloud is warm but increases when the cloud is cold. The cloud liquid water path sensitivity to warming largely explains the optical depth sensitivity at all sites.Mechanisms examined in this study involve the temperature dependence of (a) the moist-adiabatic lapse rate, (b) cloud phase partitioning, (c) drying efficiency of cloud top mixing, (d) cloud top inversion strength,and (e) boundary layer decoupling. Mechanism (a) is present across all clouds and explains 30% to 50%of the increase in liquid water path with warming at temperatures below 0°C. However, the cloud's adiabaticity, the ratio between the liquid water path and its theoretical maximum, is at least as important and determines how the liquid water path sensitivity to temperature varies with temperature. At temperatures below 0°C, the adiabaticity increases with warming, and the data support mechanism (b).At warmer temperatures, the adiabaticity decreases with warming, overwhelming mechanism (a) and resulting in the liquid water path decreasing with warming. This adiabaticity decrease arises primarily because of mechanism (d), and to a lesser degree because of mechanism (e). No evidence is found supporting mechanism (c)

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

The Interaction Between Boundary Layer and Convection Schemes in a WRF Simulation of Post Cold Frontal Clouds Over the ARM East North Atlantic Site

Abstract The correct representation of low‐level midlatitude clouds found in the wake of cold fronts strongly relies on the representation of planetary boundary layer (PBL) and convection processes, which are typically parameterized separately in numerical models. Using the Weather Research and Forecasting Model (WRF), this study investigates how distinct pairs of PBL and convection parameterization schemes represent cloud fraction in the post cold frontal region. The simulations focus on the region of the Department of Energy Atmospheric Radiation Measurement (ARM) Eastern North Atlantic observation site in the Azores Islands in the wake of a cold front that passed on 25 December 2015. Different PBL and convection schemes are combined to create 12 distinct configurations. The main differences between the selected physical parameterizations are the strength of vertical mixing and the entrainment. The simulations produce a wide range of cloud fractions, where some configurations significantly underestimate while others clearly overestimate satellite and surface‐based estimates of cloud fraction. A skill score is used to quantitatively assess the performance of each configuration with respect to ground‐based radar data. The key processes that are found to significantly impact the cloud fraction distribution are the strength of the PBL decoupling, the vertical wind shear, entrainment and detrainment rates in shallow convection, and the occurrence of drizzle. This indicates that to successfully simulate post cold frontal clouds, modeled physics must balance strong internal vertical mixing and weak exchange with the free troposphere. For this case study, cloud fraction was more sensitive to the choice of convection scheme than PBL scheme.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Cyclic Permeability Evolution During Repose Then Reactivation of Fractures and Faults

Abstract Cyclic growth and decay of permeability in fractures is explored during repeated reactivation and repose of saw‐cut fractures of Green River shale. These slide‐hold‐slide experiments are supported by measurements of fracture normal deformation and optical surface profilometry. Overall, we observe continuous permeability decay during repose (holds) and significant permeability enhancement during slow reactivation (slide). The permeability decay is accompanied by fault compaction. Both hydraulic aperture change (Δ b h ) and measured compaction (Δ b s ) are consistent with time‐dependent power law closure with a power exponent of ~0.2–0.4. These dual compaction magnitudes are positively correlated but Δ b h > Δ b s in late stage holds. Permeability enhancement during reactivation is typically also accompanied by fault dilation. However, we also observe some cases where hydraulic aperture change decouples from the measured deformation, conceivably driven by mobilization of wear products and influenced by the development of flow bottlenecks. Pretest and posttest surface profiles show that the surface topography of the fractures is planed down by shear removal. The shear removal is significant with initial laboratory prepared surface (~10 μm of aperture height) but less significant following consecutive reactivations (~2 μm). The flattened surfaces retain small‐scale, ~10–20 μm wavelength, roughness. Flow simulations, constrained by the surface topography and measured deformation, indicate that small‐scale roughness may control permeability at flow bottlenecks within a dominant flow channel. These results suggest cycles of permeability creation and destruction are an intrinsic component of the natural hydraulic system present in faults and fractures and provide an improved mechanistic understanding of the evolution of permeability during fault repose and reactivation.

Im, Kyungjae↗