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At least 325 records · Page 18

Validation of Manufacturing Process Designs for Stamped Microchannel Recuperators

Microchannel recuperators can achieve high-efficiency power cycles and chemical reactions by recovering waste heat from hot turbine exhaust and chemical reaction streams. However, the industrial application of microchannel recuperators are restricted by the high cost of patterning and bonding. The objective of this study was thus to investigate new methods for producing microchannel recuperators for emerging markets. Based on greenfield cost estimates, process designs based on stamping, laser welding and vacuum brazing of 316L stainless steel laminae were found to be more economical than conventional photochemical machining and diffusion bonding. Subsequently, validation experiments were conducted to produce stamped microchannel components using cost model parameters. At a mass flow rate of 0.99 g/s, the test article made with laser welding was found to provide higher effectiveness than the test article produced using vacuum brazing. Preliminary investigations showed that residual stresses during laser welding of the laminae led to significant warpage, collapsing channels and making lamina-to-lamina fit up challenging. In contrast, the test article produced by vacuum brazing of stamped laminae showed no clogging and 4.6% and 10.5% channel height standard deviation for the cold and hot channels, respectively. Channel variation in the vacuum brazing sample was determined to be caused by misregistration of laminae during brazing. In future work, efforts are needed to choose cheaper, more ductile brazing foils as well as design a brazing fixture to improve lamina-to-lamina registration.

42 ENGINEERING↗

Scale-Dependent Bedform Migration and Deformation in the Physical and Spectral Domains

Multi-scale bathymetries observed in laboratory channels and natural rivers have posed several challenges to the description of bedform geometry and kinematics. To better quantify scale-dependent migration velocity, high resolution spatio-temporal bed evolution data are analyzed using three independent methods: (i) a bedform tracking method that identifies individual bedforms in longitudinal bed elevation profiles, (ii) a cross-correlation based, image matching technique in consecutive bathymetry scans similar to Particle Image Velocimetry, and (iii) two-dimensional frequency-wavenumber spectra marking a dispersion relation between bedform period and length, allowing estimation of Fourier-based, scale-dependent migration velocities. The comparative studies show that the spectral and bedform tracking methods present small differences in the migration velocity of medium-large bedforms. However, significant deviations occur in the small bedforms, mostly due to bedform sheltering or amplified exposure to the flow, which also contribute to their enhanced scale-dependent deformation. The analysis also shows that some form of scale separation is needed to extract the large and slowly migrating bedforms as they are masked by secondary features when several bedform orders coexist. Bathymetric Image Velocimetry reasonably estimates the averaged migration velocity and exhibits potential to study relations between spanwise bed surface velocity and local bedform kinematics.

58 GEOSCIENCES↗

Selective electron-phonon coupling strength from nonequilibrium optical spectroscopy: The case of MgB 2

The coupling between quasiparticles and bosonic excitations rules the energy transfer pathways in condensed matter systems. The possibility of inferring the strength of specific coupling channels from their characteristic timescales measured in nonequilibrium experiments is still an open question. Here, in this study, we investigate MgB 2 , in which conventional superconductivity at temperatures as high as 39 K is mediated by the strong coupling between the conduction electrons and the 𝐸 2⁢𝑔 phonon mode. By means of broadband time-resolved optical spectroscopy, we show that this selective electron-phonon coupling dictates the nonequilibrium optical response of MgB 2 at early times (<100 fs) after photoexcitation. Furthermore, based on an effective temperature model analysis, we estimate its contribution to the total electron-boson coupling function extracted from complementary equilibrium spectroscopy approaches, namely, optical reflectivity and angle-resolved photoemission spectroscopy. The coupling strength with the 𝐸 2⁢𝑔 phonon modes is thus estimated to be 𝜆 ≃ 0.56, which is approximately half of the total coupling constant, in agreement with 𝑎𝑏 initio calculations from the literature. As a benchmark, broadband time-resolved optical spectroscopy is performed also on the isostructural and nonsuperconducting compound AlB 2 , showing that the nonequilibrium optical response relaxes on a slower timescale due to the lack of strongly coupled phonon modes. Our findings demonstrate the possibility to resolve and quantify selective electron-phonon coupling from nonequilibrium optical spectroscopy.

Mor, Selene [Università Cattolica del Sacro Cuore,↗

New capabilities for rapid depletion analysis of pebble-bed reactors in SCALE

The SCALE Leap-In for Cores at Equilibrium (SLICE) method leverages capabilities available in the SCALE modeling and simulation suite to facilitate rapid estimation of equilibrium core inventories for flowing-pebble reactor systems in support of a variety of fuel cycle applications. New capabilities that compliment the SLICE method have been developed for the ORIGAMI interface to ORIGEN in SCALE to facilitate rapid depletion calculations for flowing-pebble systems. New features include a more generalized and flexible means of specifying interpolation dimensions, the ability to evaluate pebbles moving through user-defined “axial zones” in each of the pebble’s multiple passes through the core, and the treatment of differential velocities across radial channels (representing both pebble-to-pebble and wall-to-pebble friction effects). ORIGAMI thus provides an efficient user interface to define a pebble’s path and irradiation histories of its multiple passes through the core to calculate the pebble’s time-dependent inventories, which can be useful in various applications domains such as safeguards, criticality safety, and disposal analyses. The consistency of new ORIGAMI approach was verified against the solution obtained using the SLICE method with ORIGEN-ARP, showing excellent agreement.

Skutnik, Steven E. [Oak Ridge National Laboratory ↗

Non-thermal neutrinos created by shock acceleration in successful and failed core-collapse supernova

ABSTRACT We present a comprehensive study of neutrino shock acceleration in core-collapse supernova (CCSN). The leading players are heavy leptonic neutrinos, νμ and ντ; the former and latter potentially gain the energy up to ∼100 and ∼200 MeV, respectively, through the shock acceleration. Demonstrating the neutrino shock acceleration by Monte Carlo neutrino transport, we make a statement that it commonly occurs in the early post-bounce phase (≲50 ms after bounce) for all massive stellar collapse experiencing nuclear bounce and would reoccur in the late phase (≳100 ms) for failed CCSNe. This opens up a new possibility to detect high energy neutrinos by terrestrial detectors from Galactic CCSNe; hence, we estimate the event counts for Hyper(Super)-Kamiokande, DUNE, and JUNO. We find that the event count with the energy of ≳80 MeV is a few orders of magnitude higher than that of the thermal neutrinos regardless of the detectors, and muon production may also happen in these detectors by νμ with the energy of ≳100 MeV. The neutrino signals provide a precious information on deciphering the inner dynamics of CCSN and placing a constraint on the physics of neutrino oscillation; indeed, the detection of the high energy neutrinos through charged current reaction channels will be a smoking gun evidence of neutrino flavour conversion.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnetically tuned metal-insulator transition in LaAlO 3 /SrTiO 3 nanowire arrays

A wide family of two-dimensional (2D) systems, including stripe-phase superconductors, sliding Luttinger liquids, and anisotropic 2D materials, can be modeled by an array of coupled one-dimensional (1D) electron channels or nanowire arrays. Here we report experiments in arrays of conducting nanowires with gate and field tunable interwire coupling, that are programmed at the LaAlO 3 /SrTiO 3 interface. We find a magnetically tuned metal-to-insulator transition in which the transverse resistance of the nanowire array increases by up to four orders of magnitude, which can be further tuned with a gate voltage. To explain this behavior, we develop a minimal model of a coupled two-wire system where a Wenzel-Kramers-Brillouin-based approach is used to estimate the transverse tunneling conductance. We demonstrate the existence of distinct conductance features and highlight the crucial role played by the field dependence of the interwire potential barrier on transport properties. Since our model makes minimal assumptions, we expect our predictions to hold for a wide class of coupled 1D systems. The nanowire arrays can serve as model systems to understand the origin of exotic behavior in correlated materials via analog quantum simulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Probing the Capability of Future Direct-imaging Missions to Spectrally Constrain the Frequency of Earth-like Planets

A critical question in astrobiology is whether exo-Earth candidates (EECs) are Earth-like, in that they originate life that progressively oxygenates their atmospheres similarly to Earth. We propose answering this question statistically by searching for O{sub 2} and O{sub 3} on EECs with missions such as HabEx or LUVOIR. We explore the ability of these missions to constrain the fraction, f {sub E}, of EECs that are Earth-like in the event of a null detection of O{sub 2} or O{sub 3} on all observed EECs. We use the Planetary Spectrum Generator to simulate observations of EECs with O{sub 2} and O{sub 3} levels based on Earth’s history. We consider four instrument designs—LUVOIR-A (15 m), LUVOIR-B (8 m), HabEx with a starshade (4 m, “HabEx/SS”), and HabEx without a starshade (4 m, “HabEx/no-SS”)—as well as three estimates of the occurrence rate of EECs (η {sub earth}): 24%, 5%, and 0.5%. In the case of a null detection, we find that for η {sub earth} = 24%, LUVOIR-A, LUVOIR-B, and HabEx/SS would constrain f {sub E} to ≤0.094, ≤0.18, and ≤0.56, respectively. This also indicates that if f {sub E} is greater than these upper limits, we are likely to detect O{sub 3} on at least one EEC. Conversely, we find that HabEx/no-SS cannot constrain f {sub E}, due to the lack of a coronagraph ultraviolet channel. For η {sub earth} = 5%, only LUVOIR-A and LUVOIR-B would be able to constrain f {sub E}, to ≤0.45 and ≤0.85, respectively. For η {sub earth} = 0.5%, none of the missions would allow us to constrain f {sub E}, due to the low number of detectable EECs. We conclude that the ability to constrain f {sub E} is more robust to uncertainties in η {sub earth} for missions with larger aperture mirrors. However, all missions are susceptible to an inconclusive null detection if η {sub earth} is sufficiently low.

74 ATOMIC AND MOLECULAR PHYSICS↗

Conjugate Heat Transfer Analysis in Pressurized Helium Gas Cooling Channels

Los Alamos National Laboratory (LANL) is working with NorthStar Medical Radioisotopes (NMR) on their efforts to produce Mo-99 from the irradiation of Mo-100 targets. The NMR target consists of an Inconel window that allows the electron beam to penetrate and irradiate a stack of Mo-100 disks. The irradiation process generates large amounts of heat and is cooled using pressurized helium gas flowing at 400 g/s. LANL provides both numerical analysis support and experimental support. Computational fluid dynamics (CFD) and conjugate heat transfer (CHT) analysis are performed on the NMR target to analyze the helium flow and volumetric heating through the NMR system. In this iteration of numerical analysis, we update the Mo-100 disk thickness to 0.74 mm and the gap between the Inconel window and the first disk to 0.69 mm. Estimates of the heat flux from the electron beams from Monte Carlo N-Particle code (MCNP) analysis were combined with CFD to perform the CHT analysis. The pressure drop through the targets, force applied on the first disk, beam window and target disk temperatures are some of the quantities estimated using the simulations. The pressure drop through the target was estimated as 0.198 MPa, while the force due to venturi effects across the first disk was estimated to be 100 N. The results show maximum window temperatures over 600 °C and peak disk temperatures over 1600 °C. Past work has shown that beyond 650-700 °C, the Inconel window becomes susceptible to yield and rupture. The increased temperature in these results reduces the margin of error possible on beam spot size. The disk temperatures showed a sinusoidal distribution with the 6 th – 8 th disk from each window exhibiting highest disk temperatures. The peak temperature of the stainless steel housing was close to 316 °C and that of the laminations and spacers was approximately 582 °C.

43 PARTICLE ACCELERATORS↗

Dark showers from sneaky dark matter

We present a minimal composite dark matter model, based on a SU(Nd) dark sector with nf dark quarks and a heavy t-channel mediator. For nf ≥ 4, the dark flavor symmetry guarantees the stability of a subset of the dark pions, which serve as our dark matter candidates. Their relic abundance is determined by dark sector annihilation with the remaining dark pions, which are unstable and decay. Due to their degenerate masses, the annihilation cross section is suppressed at low temperatures, thereby avoiding stringent constraints from indirect detection and opening up the GeV mass window. The decaying dark pions are naturally long lived. We obtain limits on the model from semi-visible or emerging jet searches and estimate the reach of future probes.

ALPs↗

$t\bar{t}b\bar{b}$ at the LHC: on the size of corrections and b -jet definitions

We report on the calculation of the next-to-leading order QCD corrections to the production of a $t\bar t$ pair in association with two heavy-flavour jets. We concentrate on the di-lepton $t\bar t$ decay channel at the LHC with $\sqrt{s}$ = 13 TeV. The computation is based on pp → $e^+ν_eμ^-\bar{ν}_μb\bar{b}b\bar{b}$ matrix elements and includes all resonant and non-resonant diagrams, interferences and off-shell effects of the top quark and the W gauge boson. As it is customary for such studies, results are presented in the form of inclusive and differential fiducial cross sections. We extensively investigate the dependence of our results upon variation of renormalisation and factorisation scales and parton distribution functions in the quest for an accurate estimate of the theoretical uncertainties. We additionally study the impact of the contributions induced by the bottom-quark parton density. Results presented here are particularly relevant for measurements of $t\bar{t}H(H → b\bar{b})$ and the determination of the Higgs coupling to the top quark. In addition, they might be used for precise measurements of the top-quark fiducial cross sections and to investigate top-quark decay modelling at the LHC.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study of Quasielastic Barrier Distributions as a Step towards the Synthesis of Superheavy Elements with Hot Fusion Reactions

The excitation functions for quasielastic scattering of Ne 22 + Cm 248 , Mg 26 + Cm 248 , and Ca 48 + U 238 are measured using a gas-filled recoil ion separator. The quasielastic barrier distributions are extracted for these systems and are compared with coupled-channel calculations. The results indicate that the barrier distribution is affected dominantly by deformation of the actinide target nuclei, but also by vibrational or rotational excitations of the projectile nuclei, as well as neutron transfer processes before capture. From a comparison between the experimental barrier distributions and the evaporation residue cross sections for Sg ( Z = 106 ), Hs (108), Cn (112), and Lv (116), it is suggested that the hot fusion reactions take advantage of a compact collision, where the projectile approaches along the short axis of a prolately deformed nucleus. Overall, a new method is proposed to estimate the optimum incident energy to synthesize unknown superheavy nuclei using the barrier distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Planck 2018 results. V. CMB power spectra and likelihoods

We describe the legacy Planck cosmic microwave background (CMB) likelihoods derived from the 2018 data release. The overall approach is similar in spirit to the one retained for the 2013 and 2015 data release, with a hybrid method using different approximations at low ( ℓ < 30) and high ( ℓ ≥ 30) multipoles, implementing several methodological and data-analysis refinements compared to previous releases. With more realistic simulations, and better correction and modelling of systematic effects, we can now make full use of the CMB polarization observed in the High Frequency Instrument (HFI) channels. The low-multipole EE cross-spectra from the 100 GHz and 143 GHz data give a constraint on the ΛCDM reionization optical-depth parameter τ to better than 15% (in combination with the TT low- ℓ data and the high- ℓ temperature and polarization data), tightening constraints on all parameters with posterior distributions correlated with τ . We also update the weaker constraint on τ from the joint TEB likelihood using the Low Frequency Instrument (LFI) channels, which was used in 2015 as part of our baseline analysis. At higher multipoles, the CMB temperature spectrum and likelihood are very similar to previous releases. A better model of the temperature-to-polarization leakage and corrections for the effective calibrations of the polarization channels (i.e., the polarization efficiencies) allow us to make full use of polarization spectra, improving the ΛCDM constraints on the parameters θ MC , ω c , ω b , and H 0 by more than 30%, and n s by more than 20% compared to TT-only constraints. Extensive tests on the robustness of the modelling of the polarization data demonstrate good consistency, with some residual modelling uncertainties. At high multipoles, we are now limited mainly by the accuracy of the polarization efficiency modelling. Using our various tests, simulations, and comparison between different high-multipole likelihood implementations, we estimate the consistency of the results to be better than the 0.5 σ level on the ΛCDM parameters, as well as classical single-parameter extensions for the joint likelihood (to be compared to the 0.3 σ levels we achieved in 2015 for the temperature data alone on ΛCDM only). Minor curiosities already present in the previous releases remain, such as the differences between the best-fit ΛCDM parameters for the ℓ < 800 and ℓ > 800 ranges of the power spectrum, or the preference for more smoothing of the power-spectrum peaks than predicted in ΛCDM fits. These are shown to be driven by the temperature power spectrum and are not significantly modified by the inclusion of the polarization data. Overall, the legacy Planck CMB likelihoods provide a robust tool for constraining the cosmological model and represent a reference for future CMB observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Intense cavitation-assisted electric discharge as a promising tool for water treatment

This study investigates interrelations between one-electrode Cavitation-Assisted Electric Discharge (CAED), two-electrode CAED, and recently discovered Intense CAED (I-CAED). The one-electrode CAED is a self-triggered nanosecond discharge with pulse energy in the micro-Joule range, which can be generated even by a DC voltage. I-CAED consists of a non-equilibrium part within a low-pressure cavitating region and a micro-spark traversing a liquid film. We hypothesize that CAED propagates from the high-voltage electrode as an ionization wave through bubbles of saturated vapor. Subsequently, the streamer-like discharges in the bubbles may form a continuous plasma channel. Inside the cavitating region, the plasma is strongly non-equilibrium, providing an ideal environment for generating chemically unstable species such as hydrogen peroxide (H 2 O 2 ). Plasma of I-CAED spark is characterized by high electron density and near-thermal equilibrium, emitting a continuous ultraviolet spectrum. The combination of these different discharge parts makes I-CAED in water a highly effective tool for the Advanced Oxidation Process, particularly in water disinfection. Experimentally demonstrated Electric Energy per Order value for disinfection of E. coli-contaminated water is as low as 0.135 ± 0.035 kWh/m 3 /order. Estimates show that the implementation of “dry electrodes” configuration reduces the erosion rate of the electrode material by at least one order of magnitude. Spectral analysis reveals that the continuum emission generated by I-CAED in proximity to metal electrodes deviates from the spectra of discharges spatially decoupled from the electrodes. We assume that this spectral divergence is attributable to blackbody-like emission originating from metallic nanoparticles form during the electrode's erosion process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Increased salinity decreases annual gross primary productivity at a Northern California brackish tidal marsh

Tidal marshes sequester 11.4–87.0 Tg C yr –1 globally, but climate change impacts can threaten the carbon capture potential of these ecosystems. Tidal marshes occur across a wide range of salinity, with brackish marshes (0.5–18 ppt (parts per thousand)) dominating global tidal marsh extents. A diverse mix of freshwater- and saltwater-tolerant plant and microbial communities has led researchers to predict that carbon cycling in brackish wetlands may be less sensitive to changes in salinity than fresh- or saltwater wetlands. Rush Ranch, a well-monitored brackish tidal wetland of the San Francisco Bay National Estuarine Research Reserve, experiences highly variable annual salinity regimes. Within a five-year period (2014–2018), Rush Ranch experienced particularly extreme drought-induced salinization during the 2014 and 2015 growing seasons. During drought years, tidal channel salinity rose from a 15 year baseline of 4.7 ppt to growing season peaks of 10.3 ppt and 12.5 ppt. Continuous eddy covariance data from 2014 to 2018 demonstrate that during drought summers, gross primary productivity (GPP) decreased by 24%, whereas ecosystem respiration remained similar among all five years. Stepwise linear regression revealed that salinity, not air temperature or tidal height, was the dominant driver of annual GPP. A random forest model trained to predict GPP based on environmental data from low salinity years (i.e. naive to salinization) significantly over predicted GPP in drought years. When growing season salinities were doubled, annual estimates of net ecosystem exchange of CO 2 decreased by up to 30%. These results provide ecosystem-scale evidence that increased salinity influences CO 2 fluxes dominantly through reductions in GPP. This relationship provides a starting point for incorporating the effect of changes in salinity in wetland carbon models, which could improve wetland carbon forecasting and management for climate resilience.

54 ENVIRONMENTAL SCIENCES↗

Discovery and characterization of five new eclipsing AM CVn systems

ABSTRACT AM CVn systems are ultra-compact, hydrogen-depleted, and helium-rich, accreting binaries with degenerate or semidegenerate donors. We report the discovery of five new eclipsing AM CVn systems with orbital periods of 61.5, 55.5, 53.3, 37.4, and 35.4 min. These systems were discovered by searching for deep eclipses in the Zwicky Transient Facility (ZTF) light curves of white dwarfs selected using Gaia parallaxes. We obtained phase-resolved spectroscopy to confirm that all systems are AM CVn binaries, and we obtained high-speed photometry to confirm the eclipse and characterize the systems. The spectra show double-peaked H e lines but also show metals, including K and Zn, elements that have never been detected in AM CVn systems before. By modelling the high-speed photometry, we measured the mass and radius of the donor star, potentially constraining the evolutionary channel that formed these AM CVn systems. We determined that the average mass of the accreting white dwarf is ≈0.8 M⊙, and that the white dwarfs in long-period systems are hotter than predicted by recently updated theoretical models. The donors have a high entropy and are a factor of ≈2 more massive compared to zero-entropy donors at the same orbital period. The large donor radius is most consistent with H e-star progenitors, although the observed spectral features seem to contradict this. The discovery of five new eclipsing AM CVn systems is consistent with the known observed AM CVn space density and estimated ZTF recovery efficiency.

79 ASTRONOMY AND ASTROPHYSICS↗

A Roadmap for a Lightning Modeling Grand Challenge

This document is a roadmap for building an interconnected model of the physical processes that produce a lightning discharge, and its observable optical and radio signals. We call this a Lightning Modeling Grand Challenge, recognizing that significant effort and coordination of human and financial resources is required to realize the capability. The roadmap serves to outline the coordination of resources necessary to enable stitching together existing knowledge and model components to make a lightning prediction, and to test these predictions with observations. Such a capability does not currently exist. The roadmap is motivated not only by a spirit of scientific inquiry, but by practical challenges faced by US Federal and societal stakeholders. Advancements in lightning observations have outpaced our tests of integrated understanding, leaving many stakeholders unsure how to design their missions to properly detect and discriminate lightning, and unsure how to apply the sometimes-disagreeing lightning signals from diverse instruments. The time is right to connect existing theories and models to support stakeholders in understanding the signals they observe, for needs as diverse as climate monitoring, national security, weather forecasting, public safety, and protection of natural and built environments. The roadmap’s two main technical sections describe the components of a linked physical model, followed by a description of models of lightning signals and sensors that are driven by outputs from the physical model. The goal is to predict the time-varying physical properties of lightning that are self-consistent with the thunderstorm’s structure and dynamics. These lightning signals then propagate through the storm, with realistic dispersion and attenuation, to receivers on the ground or in space. At a high level, the model begins with weather (cloud) model output, including explicit prediction of the electrification of cloud particles. The cloud’s electrical structure drives a model of lightning physics, from initiation, through channel development, and discharges along those channels. Key lightning parameters, such as the temperature and currents in the channel, and their space and time distribution, are then used to produce optical and electromagnetic signal sources that propagate to modeled receivers. This architecture therefore generates a dataset suitable for comparison to existing and envisioned observing systems. The need for additional measurements and field campaigns to support model development is described. In each model sub-component, inputs, outputs, uncertainties, evaluation methods, and next steps are summarized, interleaved with references to the scientific literature. Identifying boundaries between the model sub-components aids in segmenting an integrated, complex model into practical work packages and system sub-components, allowing a diverse team to contribute and maintain the system. We estimate that at least five years of effort and a $\$$10M initial investment is necessary to make a significant step forward. Mechanisms to facilitate community coordination, including annual workshops and open-source code repositories, are described.

54 ENVIRONMENTAL SCIENCES↗

Stable Rate of Slip Along the Karakax Section of the Altyn Tagh Fault from Observation of Interglacial and Postglacial Offset Morphology and Surface Dating

Digital elevation maps obtained using TanDEM-X and Pleiades data combined with newly obtained surface age estimates using cosmogenic radionuclide (CRN) and optically simulated luminescence (OSL) methods are used to quantify the slip rate along the western section of the Altyn Tagh Fault in southern Xinjiang. The reconstruction of the conical shape of massive alluvial fans inferred to be from the Eemian (115±7 ka) from CRN dating shows consistent left-lateral offsets of 300±20 m, yielding a slip rate of 2.6±0.3 mm/year. Successive episodes of incision have left cut terraces inset in wide canyons, 10–25 m below the fans' surface. The incision was followed by the deposition of a broad terrace of early Holocene age, which is reincised by modern stream channels. Near the village of Shanxili, a 200 m wide valley is partially dammed by a shutter ridge displaced by the fault. A fill terrace deposited upstream from the ridge has an OSL age of 8.8±0.6 ka. The 23±2 m offset of the riser incising the terrace indicates a minimum postdepositional movement on the fault, yielding a Holocene rate of 2.6±0.5 mm/year, consistent with the 115-ka average slip rate. Furthermore, scarp degradation analysis using mass diffusion reveals a nonlinear relationship between fault displacement and degradation coefficient along the progressively exposed fault scarp, a pattern suggesting either seismic clustering or variable diffusion rate since the Eemian. Together with the Gozha Co-Longmu Co fault to the south, the Karakax section of the Altyn Tagh Fault contributes to the eastward movement of the western corner of Tibet.

58 GEOSCIENCES↗

Pressure-dependent kinetics of cyclopentene consumption

Recent experiments have uncovered deficiencies in the ability of current kinetic models for cyclopentane combustion to predict species profiles as a function of O2 concentration. One likely source of these discrepancies flows from the limited availability of relevant kinetic data for key functionalized intermediates, requiring the use of distant analogies to estimate their rates. This work fills this gap for cyclopentene, the most prominent C5 intermediate in low-temperature cyclopentane combustion. Ab initio transition-state-theory based master equation methods are used to calculate pressure-dependent rate constants across four potential energy surfaces (C5H8 + OH, C5H8 + HO2, C5H7, and C5H7 + O2). Potential energy surfaces are characterized at the CCSD(T)-F12/cc-pVDZ-F12//revDSD-PBEP86-D3BJ/def2-TZVPP level of theory. Pressure-dependent rate constants and branching fractions are determined via 1D master equation calculations. The results are used to analyze the competition for radicals between cyclopentene and cyclopentane in the intermediate temperature region, and to identify the dominant pathways flowing from these initiation channels. On the OH initiation surface, we find good agreement with recently published experimental rate constants at high temperature, and we elucidate the complex temperature dependence below 800 K, where 𝜋𝜋 addition becomes prominent. On the HO2 initiation surface, we find an interesting alternative route to bicyclic ether formation via well-skipping over the HO2 adduct well. On the cyclopentenyl radical surface, the major product is cyclopentadiene plus H. On the cyclopentenyl + O2 surface, we find that resonance stabilization largely prevents the allylic radical from undergoing oxidation, whereas the alkylic radical has a somewhat elevated propensity for oxidation pathways relative to cyclopentyl.

ab initio calculations↗