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At least 703 records · Page 39

Algorithm For Solution Of Navier-Stokes Equations

Advantages of two previous algorithms combined. Steady-state Navier-Stokes equations put in implicit finite-difference form solved by approximate Newton iteration. LU-SSOR scheme is new relaxation method combining advantages of LU factorization with Gauss-Seidel relaxation. Vectorizable LU-SSOR scheme, based on central differences, requires scalar diagonal inversions. Application of scheme to approximate Newton iteration of Navier-Stokes equations yields set of equations requiring no implicit smoothing on left side. Only adaptive, total-variation-diminishing, flux-limited dissipation terms added to right side. Algorithm used to predict laminar, turbulent, and hypersonic flows.

Yoon, Seokkwan↗

Paradigm lost: Venus crater depths and the role of gravity in crater modification

Previous to Magellan, a convincing case had been assembled that predicted that complex impact craters on Venus were considerably shallower than their counterparts on Mars, Mercury, the Moon, and perhaps even Earth. This was fueled primarily by the morphometric observation that, for a given diameter (D), crater depth (d) seems to scale inversely with surface gravity for the other planets in the inner solar system. The unpredicted depth of fresh impact craters on Venus argues against a simple inverse relationship between surface gravity and crater depth. Factors that could contribute to deep craters on Venus include (1) more efficient excavation on Venus, possibly reflecting rheological effects of the hot venusian environment; (2) more melting and efficient removal of melt from the crater cavity; and (3) enhanced ejection of material out of the crater, possibly as a result of entrainment in an atmosphere set in motion by the passage of the projectile. The broader issue raised by the venusian crater depths is whether surface gravity is the predominant influence on crater depths on any planet. While inverse gravity scaling of crater depths has been a useful paradigm in planetary cratering, the venusian data do not support this model and the terrestrial data are equivocal at best. The hypothesis that planetary gravity is the primary influence over crater depths and the paradigm that terrestrial craters are shallow should be reevaluated.

Sharpton, Virgil L.↗

Investigations of Clouds and Aerosols on Mars, Venus and Titan

For Titan our interest during the past few years was to explain the observed asymmetry in the albedo. We suggested earlier, from one-dimensional modeling studies, that vertical transport rates were comparable to particle fall speeds. Since heating of the upper atmosphere, which drives dynamical motions, is largely due to the aerosols, a non- linear interaction between dynamics, radiative heating and particle microphysics is possible. We pursued this interaction in a two-dimensional model. We showed that the observed variations in the albedo between the two hemispheres and over an orbital cycle, could be due to dynamical motions suspending particles so that particle sizes and optical depths vary across the planet. In the Cassini time frame, future studies of this interaction between dynamics, radiation and microphysics may be worthwhile using the strong modeling base that others, and we have developed. In our recently approved proposal, however, we plan to extend our modeling to hydrocarbon clouds that lie at lower levels. We know very little about such clouds, and numerical models for their properties are non-existent. These clouds may be observed by the Huygen's Probe, and by the Cassini orbiter, so predictions of their properties should help in the analysis of Cassini data. We have also developed a sophisticated model for the lower, condensational, clouds on Venus. In this model we explored the water vapor budget on Venus, and the properties of the clouds such as particle size distribution. Most researchers have investigated the upper clouds on Venus, which are essentially a photochemical aerosol with a long lifetime. The lower clouds, however, are similar to stratus clouds on Earth. These clouds have short lifetimes, and are tightly coupled to the dynamics at the base of the Venus cloud deck. We believe that the holes in these clouds seen at near infrared wavelengths by Galileo are related to some interaction between dynamics and cloud physics. One goal of our recently approved proposed work is to better understand this interaction, and to better understand how these clouds may vary if the climate of Venus were to vary. During the past few years we have applied our model of the water ice clouds on Mars to new data sets from Pathfinder, and Mars Global Surveyor. We have compared our predictions of cloud properties with those seen by Pathfinder, and found reasonable agreement. More recently we have improved our model by including a radiative transfer algorithm and a boundary layer transport scheme . The goal of this work is to understand the thermal inversions seen in Mars Global Surveyor data. We find that the inversions are created by clouds radiatively cooling the atmospheric layers in which the clouds form. We have also initiated laboratory work on the physics of carbon dioxide particle formation. In our recently approved work we propose to use these laboratory data, and to extend our modeling to carbon dioxide clouds in the Martian atmosphere.

Toon, Owen B.↗

Origin of spin-driven ferroelectricity and effect of external pressure on the complex magnetism of the 6⁢ H perovskite Ba 3 ⁢Ho⁢Ru 2⁢ O 9

The compound Ba 3 HoRu 2 O 9 magnetically orders at 50 K (T N1 ), followed by another complex magnetic ordering at 10.2 K (T N2 ). The second magnetic phase transition was characterized by the coexistence of two competing magnetic ground states associated with two different magnetic wave vectors (K 1 = 0.5 0 0 and K 2 = 0.25 0.25 0). The multiferroicity and magnetoelectric coupling were predicted below T N2 in these 4d-based materials. Here, in this work, we have discussed the origin of spin-driven ferroelectricity, which is not known yet, and the nature of magnetoelectric domains. We have investigated the compound through time-of-flight neutron diffraction, synchrotron x-ray diffraction (XRD), ac susceptibility, frequency-dependent complex dielectric spectroscopy, and dc magnetization under external pressure. We have demonstrated that the noncollinear structure involving two different magnetic ions, Ru (4d) and Ho (4f), breaks the spatial inversion symmetry via inverse Dzyaloshinskii-Moriya (DM) interaction through strong 4d-4f magnetic correlation, which shifts the oxygen atoms and results in nonzero polarization. Such an observation of inverse DM interaction from two different magnetic ions which cause ferroelectricity is rarely observed. The stronger spin-orbit coupling of 4d orbital might play a major role in creating DM interaction of noncollinear spins. We have systematically studied the spin and dipolar dynamics, which exhibit intriguing behavior with shorter coherence lengths of second magnetic phase associated with the k 2 wave vector. The results manifest the development of finite-size magnetoelectric domains instead of true long-range ordering, which justifies the experimentally obtained low value of ferroelectric polarization. The lattice parameters and volume show a sharp anomaly at T N2 obtained by analyzing the temperature-dependence XRD, which is consistent with the ferroelectric transition, predicting a noncentrosymmetric space group, $P\bar{6}2c$, for this compound. Furthermore, we have investigated the effect of external pressure on this complex magnetism. The result reveals an enhancement of ordering temperature by the application of external pressure (~1.6 K/GPa). The external pressure might favor stabilizing the magnetic ground state associated with second magnetic phase. Our study shows an unconventional mechanism of spin-driven ferroelectricity involving inverse DM interaction between Ru (4d) and Ho (4f) magnetic ions due to strong 4d-4f cross coupling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Machine learning-aided inverse design for biogas upgrading through biological CO 2 conversion

The biogas upgrading process through bioconversion of CO 2 to CH 4 by hydrogenotrophic methanogens is an attractive strategy for energy decarbonation. Many studies have optimized operational parameters to improve key performance indicators such as CH 4 % and H 2 utilization efficiency. However, inconsistent laboratory conditions make it challenging to compare results. Existing models for analyzing operating conditions can only assess the impact of individual conditions and lack the ability to simultaneously optimize multiple conditions. To address this, two XGBoost models were built with R 2 of 0.779 and 0.903 with data collected from literatures and were embedded into multi-objective partitive swarm optimization algorithm to optimal operating conditions. Predictions were compared with experimental validations under optimized conditions, revealing an 8.50% and 2.95% relative error in CH 4 % and H 2 conversion rate, respectively. This approach streamlines biogas upgrading processes, offering a data-driven solution to enhance efficiency and consistency in the pursuit of sustainable methane production.

Biogas upgrading↗

Investigating Sources of Variability and Error in Simulations of Carbon Dioxide in an Urban Region

Greenhouse gas (GHG) emissions estimation methods that use atmospheric trace gas observations, including inverse modeling techniques, perform better when carbon dioxide (CO2) fluxes are more accurately transported and dispersed in the atmosphere by a numerical model. In urban areas, transport and dispersion is particularly difficult to simulate using current mesoscale meteorological models due, in part, to added complexity from surface heterogeneity and fine spatial/temporal scales. It is generally assumed that the errors in GHG estimation methods in urban areas are dominated by errors in transport and dispersion. Other significant errors include, but are not limited to, those from assumed emissions magnitude and spatial distribution. To assess the predictability of simulated trace gas mole fractions in urban observing systems using a numerical weather prediction model, we employ an Eulerian model that combines traditional meteorological variables with multiple passive tracers of atmospheric CO2 from anthropogenic inventories and a biospheric model. The predictability of the Eulerian model is assessed by comparing simulated atmospheric CO2 mole fractions to observations from four in situ tower sites (three urban and one rural) in the Washington DC/Baltimore, MD area for February 2016. Four different gridded fossil fuel emissions inventories along with a biospheric flux model are used to create an ensemble of simulated atmospheric CO2 observations within the model. These ensembles help to evaluate whether the modeled observations are impacted more by the underlying emissions or transport. The spread of modeled observations using the four emission fields indicates the model's ability to distinguish between the different inventories under various meteorological conditions. Overall, the Eulerian model performs well; simulated and observed average CO2 mole fractions agree within 1% when averaged at the three urban sites across the month. However, there can be differences greater than 10% at any given hour, which are attributed to complex meteorological conditions rather than differences in the inventories themselves. On average, the mean absolute error of the simulated compared to actual observations is generally twice as large as the standard deviation of the modeled mole fractions across the four emission inventories. This result supports the assumption, in urban domains, that the predicted mole fraction error relative to observations is dominated by errors in model meteorology rather than errors in the underlying fluxes in winter months. As such, minimizing errors associated with atmospheric transport and dispersion may help improve the performance of GHG estimation models more so than improving flux priors in the winter months. We also find that the errors associated with atmospheric transport in urban domains are not restricted to certain times of day. This suggests that atmospheric inversions should use CO2 observations that have been filtered using meteorological observations rather than assuming that meteorological modeling is most accurate at certain times of day (such as using only mid-afternoon observations).

CO2↗

The Role of Non-Local Effects on Surface Sensible Heat Flux Under Different Types of Thermal Structures Over the Arctic Sea-Ice Surface

The effects of atmospheric thermal structure on the surface energy flux are poorly understood over the Arctic sea-ice surface. Here, we explore the mechanism of sensible heat exchange under different types of thermal structures over the Arctic sea-ice surface by using data collected during the Multidisciplinary drifting Observatory for the Study of Arctic Climate expedition. The quadrant analysis indicates that strong surface temperature inversions below 100 m enhance non-local effects on the positive (upward) sensible heat flux ($\overline{w'θ'}$) through entrainment of large eddies from the convective boundary layer aloft. However, strong surface inversions restrict the contributions of large eddies to the negative (downward) $\overline{w'θ'}$ due to intensified surface stability. By inspecting the existing parameterization schemes, we found that the European Center for Medium-Range Weather Forecasts Integrated Forecasting System scheme fails to predict the impacts of non-local processes on the positive $\overline{w'θ'}$, and an adjustment term to correct the bias of parameterized $\overline{w'θ'}$ is proposed.

54 ENVIRONMENTAL SCIENCES↗

Spatially varying colloidal phase behavior on multi-dimensional energy landscapes

A method is reported to determine equilibrium concentration profiles and local phase behavior for colloids on multi-dimensional energy landscapes. A general expression is derived based on local particle concentration and osmotic pressure differences that are balanced by forces on colloids due to energy landscape gradients. This analysis is applied to colloidal particles in high frequency AC electric fields within octupolar electrodes, where the energy landscape can be shaped in two dimensions. These results are also directly applicable to any particles having induced dipoles in spatially non-uniform electromagnetic fields. Predictions based on modelling colloids with an effective hard disk equation of state indicate inhomogeneous solid and fluid states coexisting on different shaped energy landscapes including multiple minima. Model predictions show excellent agreement with time-averaged Brownian Dynamic simulations at equilibrium. Findings demonstrate a general approach to understand colloidal phase behavior on energy landscapes due to external fields, which could enable control of colloidal microstructure on morphing energy landscapes and the inverse design of fields to assemble hierarchically structured colloidal materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polarization consistent dielectric screening in polarizable continuum model calculations of solvation energies

A polarization consistent framework, where dielectric screening is affected consistently in polarizable continuum model (PCM) calculations, is employed for the study of solvation energies. The computational framework combines a screened range-separated-hybrid functional (SRSH) with PCM calculations, SRSH-PCM, where dielectric screening is imposed in both PCM self-consistent reaction field (SCRF) iterations and the electronic structure Hamiltonian. We begin by demonstrating the impact of modifying the Hamiltonian to include such dielectric screening in SCRF iterations by considering the solutions of electrostatically embedded Hartree–Fock (HF) exact exchange equations. Long-range screened HF-PCM calculations are shown to capture properly the linear dependence of gap energy of frontier orbitals on the inverse of the dielectric constant, whereas unscreened HF-PCM orbital energies are fallaciously semi-constant with respect to the dielectric constant and, therefore, inconsistent with the ionization energy gaps. Similar trends affect density functional theory (DFT) calculations that aim to achieve predictive quality. Importantly, the dielectric screened calculations are shown to significantly affect DFT- and HF PCM-based solvation energies, where screened solvation energies are smaller compared to the unscreened values. Importantly, SRSH-PCM, therefore, appears to reduce the tendency of DFT-PCM to overestimate solvation energies, where we find the effect to increase with the dielectric constant and the polarity of the molecular solute, trends that enhance the quality of DFT-PCM calculations of solvation energy. Understanding the relationship of dielectric screening in the Hamiltonian and DFT-PCM calculations can ultimately benefit on-going efforts for the design of predictive and parameter free descriptions of solvation energies.

Chemistry↗

Controlling cantilevered adaptive X-ray mirrors

Modeling the behavior of a prototype cantilevered X-ray adaptive mirror (held from one end) demonstrates its potential for use on high-performance X-ray beamlines. Similar adaptive mirrors are used on X-ray beamlines to compensate optical aberrations, control wavefronts and tune mirror focal distances at will. Controlled by 1D arrays of piezoceramic actuators, these glancing-incidence mirrors can provide nanometre-scale surface shape adjustment capabilities. However, significant engineering challenges remain for mounting them with low distortion and low environmental sensitivity. Finite-element analysis is used to predict the micron-scale full actuation surface shape from each channel and then linear modeling is applied to investigate the mirrors' ability to reach target profiles. Using either uniform or arbitrary spatial weighting, actuator voltages are optimized using a Moore–Penrose matrix inverse, or pseudoinverse, revealing a spatial dependence on the shape fitting with increasing fidelity farther from the mount.

47 OTHER INSTRUMENTATION↗

Computer Model Calibration with Time Series Data Using Deep Learning and Quantile Regression

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiments is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer input parameters by combining information from model runs and observational data. The existing standard calibration framework suffers from inferential issues when the model output and observational data are high-dimensional dependent data, such as large time series, due to the difficulty in building an emulator and the nonidentifiability between effects from input parameters and data-model discrepancy. To overcome these challenges, we, in this work, propose a new calibration framework based on a deep neural network (DNN) with long short-term memory layers that directly emulates the inverse relationship between the model output and input parameters. Adopting the “learning with noise” idea, we train our DNN model to filter out the effects from data-model discrepancy on input parameter inference. We also formulate a new way to construct interval predictions for DNN using quantile regression to quantify the uncertainty in input parameter estimates. Through a simulation study and real data application with the Weather Research and Forecasting Model Hydrological modeling system (WRF-Hydro), we show our approach can yield accurate point estimates and well-calibrated interval estimates for input parameters.

97 MATHEMATICS AND COMPUTING↗

An experimental study of the fluid mechanics associated with porous walls

The fluid mechanics associated with the blowing phenomenon from porous walls is measured and characterized. The measurements indicate that the flow exiting a porous wall exhibits a lumpy velocity profile caused by the coalescence effects of smaller jets emerging from the surface. The velocity variations are spatially stable and prevail even at low flow rates. The intensity of this pseudoturbulence is found to be directly proportional to the filter rating of the porous wall and to increase linearly with the mean velocity. Beyond a critical mean velocity, the pseudoturbulence intensity shows a leveling trend with increase in the mean velocity. This critical velocity varies inversely as the filter rating and represents the onset of fully developed jetting action in the flow field. Based on the data, a more appropriate length scale for the flow field is proposed and a correlation is developed that can be used to predict the onset of fully developed jets in the flow emerging from a porous wall.

Ramachandran, N.↗

Flow-Field Measurement of Device-Induced Embedded Streamwise Vortex on a Flat Plate

Detailed flow-field measurements were performed downstream of a single vortex generator (VG) using an advanced Stereo Digital Particle Image Velocimetry system. Thc passive flow-control devices examined consisted of a low-profile VG with a device height, h, approximately equal to 20 percent of the boundary-layer thickness, sigma, and a conventional VG with h is approximately sigma. Flow-field data were taken at twelve cross-flow planes downstream of the VG to document and quantify the evolution of embedded streamwise vortex. The effects of device angle of attack on vortex development downstream were compared between the low-profile VG and the conventional VG. Key parameters including vorticity, circulation, trajectory, and half-life radius - describing concentration, strength, path, and size, respectively--of the device-induced streamwise vortex were extracted from the flow-field data. The magnitude of maximum vorticity increases as angle of attack increases for the low-profile VG, but the trend is reversed for the conventional VG, probably due to flow stalling around the larger device at higher angles of attack. Peak vorticity and circulation for the low-profile VG decays exponentially and inversely proportional to the distance downstream from the device. The device-height normalized vortex trajectories for the low-profile VG, especially in the lateral direction, follow the general trends of the conventional VG. The experimental database was used to validate the predictive capability of computational fluid dynamics (CFD). CFD accurately predicts the vortex circulation and path; however, improvements are needed for predicting the vorticity strength and vortex size.

Yao, Chung-Sheng↗

The MODIS Aerosol Algorithm, Products and Validation

The MODerate resolution Imaging Spectroradiometer (MODIS) aboard both NASA's Terra and Aqua satellites is making near global daily observations of the earth in a wide spectral range. These measurements are used to derive spectral aerosol optical thickness and aerosol size parameters over both land and ocean. The aerosol products available over land include aerosol optical thickness at three visible wavelengths, a measure of the fraction of aerosol optical thickness attributed to the fine mode and several derived parameters including reflected spectral solar flux at top of atmosphere. Over ocean, the aerosol optical thickness is provided in seven wavelengths from 0.47 microns to 2.13 microns. In addition, quantitative aerosol size information includes effective radius of the aerosol and quantitative fraction of optical thickness attributed to the fine mode. Spectral aerosol flux, mass concentration and number of cloud condensation nuclei round out the list of available aerosol products over the ocean. The spectral optical thickness and effective radius of the aerosol over the ocean are validated by comparison with two years of AERONET data gleaned from 133 AERONET stations. 8000 MODIS aerosol retrievals colocated with AERONET measurements confirm that one-standard deviation of MODIS optical thickness retrievals fall within the predicted uncertainty of delta tauapproximately equal to plus or minus 0.03 plus or minus 0.05 tau over ocean and delta tay equal to plus or minus 0.05 plus or minus 0.15 tau over land. 271 MODIS aerosol retrievals co-located with AERONET inversions at island and coastal sites suggest that one-standard deviation of MODIS effective radius retrievals falls within delta r_eff approximately equal to 0.11 microns. The accuracy of the MODIS retrievals suggests that the product can be used to help narrow the uncertainties associated with aerosol radiative forcing of global climate.

Remer, L. A.↗

Emission Spectroscopy and Radiometric Measurements in the NASA Ames IHF Arc Jet Facility

Plasma diagnostic measurement campaigns in the NASA Ames Interaction Heating Facility (IHF) have been conducted over the last several years with a view towards characterizing the flow in the arc jet facility by providing data necessary for modeling and simulation. Optical emission spectroscopy has been used in the plenum and in the free jet of the nozzle. Radiation incident over a probe surface has also been measured using radiometry. Plenum measurements have shown distinct radial profiles of temperature over a range of operating conditions. For cases where large amounts of cold air are added radially to the main arc-heated stream, the temperature profiles are higher by as much as 1500 K than the profiles assumed in flow simulations. Optical measurements perpendicular to the flow direction in the free jet showed significant contributions to the molecule emission through inverse pre-dissociation, thus allowing determination of atom number densities from molecular emission. This has been preliminarily demonstrated with the N2 1st Positive System. Despite the use of older rate coefficients, the resulting atom densities are reasonable and surprisingly close to flow predictions.

Winter, Michael W.↗

On the Probability of Occurrence of Extreme Space Weather Events

By virtue of their rarity, extreme space weather events, such as the Carrington event of 1859, are difficult to study, their rates of occurrence are difficult to estimate, and prediction of a specific future event is virtually impossible. Additionally, events may be extreme relative to one parameter but normal relative to others. In this study, we analyze several measures of the severity of space weather events (flare intensity, coronal mass ejection speeds, Dst, and greater than 30 MeV proton fluences as inferred from nitrate records) to estimate the probability of occurrence of extreme events. By showing that the frequency of occurrence scales as an inverse power of the severity of the event, and assuming that this relationship holds at higher magnitudes, we are able to estimate the probability that an event larger than some criteria will occur within a certain interval of time in the future. For example, the probability of another Carrington event (based on Dst less than - 850 nT) occurring within the next decade is approximately 12%. We also identify and address several limitations with this approach. In particular, we assume time stationarity, and thus, the effects of long-term space climate change are not considered. While this technique cannot be used to predict specific events, it may ultimately be useful for probabilistic forecasting.

Riley, Pete↗

AdS/CFT unitarity at higher loops: high-energy string scattering

What is the space of weakly-coupled, gravitational theories which contain massive, higher-spin particles? This class of theories is highly constrained and it is conjectured their ultraviolet completion must be string theory. We provide more evidence for this conjecture by studying the Regge limit in large N, 4d CFTs with single-trace operators of unbounded spin. We show that in the Regge limit, these theories have bulk scattering amplitudes which are consistent with the string theory prediction to all orders in 1/N for large, but finite, coupling. In the language of Regge theory, we show Pomeron exchange naturally exponentiates in the 1/N expansion. To do this, we solve the bootstrap equations at tree-level and then use the Lorentzian inversion formula to find the one-loop correlator in the Regge limit. This is a unitarity method for AdS/CFT which can be repeated iteratively to make all orders statements. We also explain under what conditions the tree-level result exponentiates in the 1/N expansion at arbitrary coupling. Finally, we comment on further inelastic effects and show they give subleading contributions at large coupling. As a consistency check, we recover results from bulk Einstein gravity in the limit where all higher-spin particles decouple.

1/N Expansion↗

Neutrino and gamma-ray emissions from NGC 1068

IceCube has recently reported the detection of ∼1–10 TeV neutrinos from the nearby active galaxy, NGC 1068. The lack of TeV-scale emission from this source suggests that these neutrinos are generated in the dense corona that surrounds NGC 1068’s supermassive black hole. In this paper, we present a physical model for this source, including the processes of pair production, pion production, synchrotron, and inverse Compton scattering. We have also performed a new analysis of Fermi-LAT data from the direction of NGC 1068, finding that the gamma-ray emission from this source is very soft but bright at energies below ∼1 GeV . Our model can predict a gamma-ray spectrum that is consistent with Fermi-LAT observations when the magnetic field within the corona of this active galactic nucleus (AGN) is quite high, namely 𝐵 ≳6 kG . To explain the observed neutrino emission, this source must accelerate protons with a total power that is comparable to its intrinsic x-ray luminosity. In this context, we consider two additional nearby active galaxies, NGC 4151 and NGC 3079, which have been identified as promising targets for IceCube.

79 ASTRONOMY AND ASTROPHYSICS↗