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At least 1,099 records · Page 61

High-order Accurate Finite-Volume Formulations for the Pressure Gradient Force in Layered Ocean Models

Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates andor terrain-following representations.

pressure gradient force↗

Heat stress on agricultural workers exacerbates crop impacts of climate change

Abstract The direct impacts of climate change on crop yields and human health are individually well-studied, but the interaction between the two have received little attention. Here we analyze the consequences of global warming for agricultural workers and the crops they cultivate using a global economic model (GTAP) with explicit treatment of the physiological impacts of heat stress on humans’ ability to work. Based on two metrics of heat stress and two labor functions, combined with a meta-analysis of crop yields, we provide an analysis of climate, impacts both on agricultural labor force, as well as on staple crop yields, thereby accounting for the interacting effect of climate change on both land and labor. Here we analyze the two sets of impacts on staple crops, while also expanding the labor impacts to highlight the potential importance on non-staple crops. We find, worldwide, labor and yield impacts within staple grains are equally important at +3 ∘ C warming, relative to the 1986–2005 baseline. Furthermore, the widely overlooked labor impacts are dominant in two of the most vulnerable regions: sub-Saharan Africa and Southeast Asia. In those regions, heat stress with 3 ∘ C global warming could reduce labor capacity in agriculture by 30%–50%, increasing food prices and requiring much higher levels of employment in the farm sector. The global welfare loss at this level of warming could reach $136 billion, with crop prices rising by 5%, relative to baseline.

de Lima, Cicero Z. (ORCID:0000000297005435)↗

Terrestrial Testing of the CapiBRIC, a Microgravity Optimized Brine Processor

Utilizing geometry based static phase separation exhibited in the radial vaned capillary drying tray, a system was conceived to recover water from brine. This technology has been named the Capillary BRIC; abbreviated CapiBRIC. The CapiBRIC utilizes a capillary drying tray within a drying chamber. Water is recovered from clean water vapor evaporating from the free surface leaving waste brine solids behind. A novel approach of optimizing the containment geometry to support passive capillary flow and static phase separation provides the opportunity for a low power system that is not as susceptible to fouling as membranes or other technologies employing physical barriers across the free brine surface to achieve phase separation in microgravity. Having been optimized for operation in microgravity, full-scale testing of the CapiBRIC as designed cannot be performed on the ground as the force of gravity would dominate over the capillary forces. However, subscale units relevant to full-scale design were used to characterize fill rates, containment stability, and interaction with a variable volume reservoir in the PSU Dryden Drop Tower (DDT) facility. PSU also using tested units scaled such that capillary forces dominated in a 1-g environment to characterize evaporation from a free-surface in 1-g upward, sideways and downward orientations. In order to augment the subscale testing performed by PSU, a full scale 1-g analogue of the CapiBRIC drying unit was initiated to help validate performance predictions regarding expected water recovery ratio, estimated processing time, and interface definitions for inlets, outlets, and internal processes, including vent gas composition. This paper describes the design, development and test of the terrestrial CapiBRIC prototypes.

Sargusingh, Miriam J.↗

Aerodynamic interactions between a 1/6 scale helicopter rotor and a body of revolution

A wind-tunnel investigation was conducted in which independent, steady state aerodynamic forces and moments were measured on a 2.24-m-diam, two bladed helicopter rotor and a body of revolution. The objective was to determine the interaction of the body on the rotor performance and the effect of the rotor on the body aerodynamics for variations in velocity, thrust, tip-path-plane angle of attack, body angle of attack, rotor/body position, and body nose geometry. Results show that a body of revolution near the rotor can produce significant favorable or unfavorable effects on rotor performance, depending on the operating condition. Body longitudinal aerodynamic characteristics are significantly modified by the presence of an operating rotor and hub.

Betzina, M. D.↗

Spirometric traits show quantile-dependent heritability, which may contribute to their gene-environment interactions with smoking and pollution

Background: “Quantile-dependent expressivity” refers to a genetic effect that is dependent upon whether the phenotype (e.g., spirometric data) is high or low relative to its population distribution. Forced vital capacity (FVC), forced expiratory volume in 1 second (FEV 1 ), and the FEV 1 /FVC ratio are moderately heritable spirometric traits. The aim of the analyses is to test whether their heritability (h 2 ) is constant over all quantiles of their distribution. Methods: Quantile regression was applied to the mean age, sex, height and smoking-adjusted spirometric data over multiple visits in 9,993 offspring-parent pairs and 1,930 sibships from the Framingham Heart Study to obtain robust estimates of offspring-parent (β OP ), offspring-midparent (β OM ), and full-sib regression slopes (β FS ). Nonparametric significance levels were obtained from 1,000 bootstrap samples. β OP s were used as simple indicators of quantile-specific heritability (i.e.,h 2 = 2β OP /(1+r spouse ), where r spouse was the correlation between spouses). Results: β OP ± standard error (SE) decreased by 0.0009 ± 0.0003 (P = 0.003) with every one-percent increment in the population distribution of FEV 1 /FVC, i.e., β OP ± SE were: 0.182 ± 0.031, 0.152 ± 0.015; 0.136 ± 0.011; 0.121 ± 0.013; and 0.099 ± 0.013 at the 10th, 25th, 50th, 75th, and 90th percentiles of the FEV 1 /FVC distribution, respectively. These correspond to h 2 ± SEs of 0.350 ± 0.060 at the 10th, 0.292 ± 0.029 at the 25th, 0.262 ± 0.020 at the 50th, 0.234 ± 0.025 at the 75th, and 0.191 ± 0.025 at the 90th percentiles of the FEV 1 /FVC ratio. Maximum mid-expiratory flow (MMEF) h 2 ± SEs increased 0.0025 ± 0.0007 (P = 0.0004) with every one-percent increment in its distribution, i.e.: 0.467 ± 0.046, 0.467 ± 0.033, 0.554 ± 0.038, 0.615 ± 0.042, and 0.675 ± 0.060 at the 10th, 25th, 50th, 75th, and 90th percentiles of its distribution. This was due to forced expiratory flow at 75% of FVC (FEF75%), whose quantile-specific h 2 increased an average of 0.0042 ± 0.0008 for every one-percent increment in its distribution. It is speculated that previously reported gene-environment interactions may be partially attributable to quantile-specific h 2 , i.e., greater heritability in individuals with lower FEV 1 /FVC due to smoking or airborne particles exposure vs. nonsmoking, unexposed individuals. Conclusion: Heritabilities of FEV 1 /FVC, MMEF, and FEF75% from quantile-regression of offspring-parent and sibling spirometric data suggest their quantile-dependent expressivity.

59 BASIC BIOLOGICAL SCIENCES↗

Nanoscopic Structure of the Interface between Reduced TiO 2– x (110) and Water Vapor

We investigate the interaction between a reduced rutile TiO 2–x (110)-(1×4) surface and water vapor at ambient pressures using atomic force microscopy and X-ray photoelectron spectroscopy (AP-AFM and AP-XPS). Our results reveal that water molecules strongly interact with the reduced surface, leading to hydroxylation and localized clustering of water molecules. In defect-rich regions, AFM tip-induced restructuring causes removal of the topmost surface layer, highlighting the lowered cohesive energy of the surface atoms upon hydroxylation. These findings provide new insights into the water adsorption and restructuring mechanisms on reducible transition metal oxides, relevant for catalytic and environmental applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Haptic interfaces: Hardware, software and human performance

Virtual environments are computer-generated synthetic environments with which a human user can interact to perform a wide variety of perceptual and motor tasks. At present, most of the virtual environment systems engage only the visual and auditory senses, and not the haptic sensorimotor system that conveys the sense of touch and feel of objects in the environment. Computer keyboards, mice, and trackballs constitute relatively simple haptic interfaces. Gloves and exoskeletons that track hand postures have more interaction capabilities and are available in the market. Although desktop and wearable force-reflecting devices have been built and implemented in research laboratories, the current capabilities of such devices are quite limited. To realize the full promise of virtual environments and teleoperation of remote systems, further developments of haptic interfaces are critical. In this paper, the status and research needs in human haptics, technology development and interactions between the two are described. In particular, the excellent performance characteristics of Phantom, a haptic interface recently developed at MIT, are highlighted. Realistic sensations of single point of contact interactions with objects of variable geometry (e.g., smooth, textured, polyhedral) and material properties (e.g., friction, impedance) in the context of a variety of tasks (e.g., needle biopsy, switch panels) achieved through this device are described and the associated issues in haptic rendering are discussed.

Srinivasan, Mandayam A.↗

Bond clusters control rupture force limit in shear loaded histidine-Ni 2+ metal-coordinated proteins

Dynamic noncovalent interactions are pivotal to the structure and function of biological proteins and have been used in bioinspired materials for similar roles. Metal-coordination bonds, in particular, are especially tunable and enable control over static and dynamic properties when incorporated into synthetic materials. Despite growing efforts to engineer metal-coordination bonds to produce strong, tough, and self-healing materials, the systematic characterization of the exact contribution of these bonds towards mechanical strength and the effect of geometric arrangements is missing, limiting the full design potential of these bonds. In this work, we engineer the cooperative rupture of metal-coordination bonds to increase the rupture strength of metal-coordinated peptide dimers. Utilizing all-atom steered molecular dynamics simulations on idealized bidentate histidine-Ni 2+ coordinated peptides, we show that histidine-Ni 2+ bonds can rupture cooperatively in groups of two to three bonds. We find that there is a strength limit, where adding additional coordination bonds does not contribute to the additional increase in the protein rupture strength, likely due to the highly heterogeneous rupture behavior exhibited by the coordination bonds. Further, we show that this coordination bond limit is also found natural metal-coordinated biological proteins. Using these insights, we quantitatively suggest how other proteins can be rationally designed with dynamic noncovalent interactions to exhibit cooperative bond breaking behavior. Altogether, this work provides a quantitative analysis of the cooperativity and intrinsic strength limit for metal-coordination bonds with the aim of advancing clear guiding molecular principles for the mechanical design of metal-coordinated materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The Frontal Air-Sea Interaction Experiment (FASINEX). II - Experimental plan

The Frontal Air-Sea Interaction Experiment (FASINEX) is a study of the response of the upper ocean to atmospheric forcing in the vicinity of an oceanic front in the subtropical convergence zone southwest of Bermuda, the response of the lower atmosphere in that vicinity to the oceanic front, and the associated two-way interaction between ocean and atmosphere. FASINEX is planned for the winter and spring of 1985-1986 with an intensive period in February and March 1986 in the vicinity of 27 deg N, 70 deg W, where sea-surface temperature fronts are climatologically common. Measurements will be made from buoys, ships, aircraft, and spacecraft. A previous article gave a brief history of FASINEX and presented its scientific goals. This article describes the FASINEX experimental plan.

Stage, S. A.↗

Modelling of E-region auroral winds

A numerical code, describing the interactions between chemistry and dynamics in the coupled thermosphere and ionosphere systems, has been used to investigate the morphology of wind systems of the auroral E-region and, in particular, their response to geomagnetic forcing. The structure and dynamics of both the thermosphere and the ionosphere show very strong interactions at all levels of geomagnetic disturbance. By comparison, other perturbations, particularly those resulting from tidal and gravity wave sources within the lower atmosphere, which are important and easily identified during quiet periods, are always overwhelmed by the magnitude of the effects of large geomagnetic disturbances above about 110 km altitude. The model simulations will be used to characterize the geomagnetic response of the E-region neutral wind, temperature, and composition in different parts of the polar cap and the auroral oval, and the major changes resulting from seasonal variations.

Rees, David↗

A theoretical prediction of the acoustic pressure generated by turbulence-flame front interactions

The equations of momentum annd continuity are combined and linearized yielding the one dimensional nonhomogeneous acoustic wave equation. Three terms in the non-homogeneous equation act as acoustic sources and are taken to be forcing functions acting on the homogeneous wave equation. The three source terms are: fluctuating entropy, turbulence gradients, and turbulence-flame interactions. Each source term is discussed. The turbulence-flame interaction source is used as the basis for computing the source acoustic pressure from the Fourier transformed wave equation. Pressure fluctuations created in turbopump gas generators and turbines may act as a forcing function for turbine and propellant tube vibrations in Earth to orbit space propulsion systems and could reduce their life expectancy. A preliminary assessment of the acoustic pressure fluctuations in such systems is presented.

Huff, R. G.↗

A theoretical prediction of the acoustic pressure generated by turbulence-flame front interactions

The equations of momentum and continuity are combined and linearized yielding the one dimensional nonhomogeneous acoustic wave equation. Three terms in the non-homogeneous equation act as acoustic sources and are taken to be forcing functions acting on the homogeneous wave equation. The three source terms are: fluctuating entropy, turbulence gradients, and turbulence-flame interactions. Each source term is discussed. The turbulence-flame interaction source is used as the basis for computing the source acoustic pressure from the Fourier transformed wave equation. Pressure fluctuations created in turbopump gas generators and turbines may act as a forcing function for turbine and propellant tube vibrations in earth to orbit space propulsion systems and could reduce their life expectancy. A preliminary assessment of the acoustic pressure fluctuations in such systems is presented.

Huff, R. G.↗

Magnetosheath-ionspheric plasma interactions in the cusp/cleft. 2: Mesoscale particle simulations

Ionospheric plasma flowing out from the cusp can be an important source of plasma to the magnetosphere. One source of free energy that can drive this outflow is the injection of magnetosheath plasma into the cusp. Two-dimensional (three velocity) mesoscale particle simulations are used to investigate the particle dynamics in the cusp during southward interplanetary magnetic field. This mesoscale model self-consistently incorporates (1) global influences such as the convection of plasma across the cusp, the action of the mirror force, and the injection of the magnetosheath plasma, and (2) wave-particle interactions which produce the actual coupling between the magnetosheath and ionospheric plasmas. It is shown that, because the thermal speed of the electrons is higher than the bulk motion of the magnetosheath plasma, an upward current is formed on the equatorward edge of the injection region with return currents on either side. However, the poleward return currents are the stronger due to the convection and mirroring of many of the magnetosheath electrons. The electron distribution in this latter region evolves from upward directed streams to single-sided loss cones or possibly electron conics. The ion distribution also shows a variety of distinct features that are produced by spatial and/or temporal effects associated with varying convection patterns and wave-particle interactions. On the equatorward edge the distribution has a downflowing magnetosheath component and an upflowing cold ionospheric component due to continuous convection of ionospheric plasma into the region. In the center of the magnetosheath region, heating from the development of an ion-ion streaming instability causes the suppression of the cold ionospheric component and the formation of downward ionospheric streams. Further poleward there is velocity filtering of ions with low pitch angles, so that the magnetosheath ions develop a ring-beam distribution and the ensuing wave instabilities generate downward ionospheric conics. These downward ionospheric components are eventually turned by the mirror force, leading to the production of upward conics at elevated energies throughout the region.

Winglee, R. M.↗

Bridging New Observational Capabilities and Process-Level Simulation: Insights into Aerosol Roles in the Earth System

The spatial distribution of ambient aerosol particles significantly impacts aerosol–radiation–cloud interactions, which contribute to the largest uncertainty in global anthropogenic radiative forcing estimations. However, the atmospheric boundary layer and lower free troposphere have not been adequately sampled in terms of spatiotemporal resolution, hindering a comprehensive characterization of various atmospheric processes and impeding our understanding of the Earth system. To address this research data gap, we have leveraged the development of uncrewed aerial systems (UAS) and advanced measurement techniques to obtain mesoscale spatial data on aerosol microphysical and optical properties around the U.S. Southern Great Plains (SGP) atmospheric observatory. Our study also benefits from state-of-the-art laboratory facilities that include three-dimensional molecular imaging techniques enabled by secondary ion mass spectrometry and nanogram-level chemical composition analysis via micronebulization aerosol mass spectrometry. Through our study, we have developed a framework for observation–modeling integration, enabling an examination of how various assumptions about the organic–inorganic components mixing state, inferred from chemical analysis, affect clouds and radiation in observation-constrained model simulations. By integrating observational constraints (derived from offline chemical analysis of the aerosol surface using collected samples) with in situ UAS observations, we have identified a prominent role of organic-enriched nanometer layers located at the surface of aerosol particles in determining profiles of aerosol optical and hygroscopic properties over the SGP observatory. Furthermore, we have improved the agreement between predicted clouds and ground-based cloud lidar measurements. This UAS–model–laboratory integration exemplifies how these new advanced capabilities can significantly enhance our understanding of aerosol–radiation–cloud interactions.

54 ENVIRONMENTAL SCIENCES↗

Uranium (VI) Adsorbate Structures on Portlandite [Ca(OH)2] Type Surfaces Determined by Computational Modelling and X-ray Absorption Spectroscopy

Portlandite [Ca(OH) 2 ] is a potentially dominant solid phase in the high pH fluids expected within the cementitious engineered barriers of Geological Disposal Facilities (GDF). This study combined X-ray Absorption Spectroscopy with computational modelling in order to provide atomic-scale data which improves our understanding of how a critically important radionuclide (U) will be adsorbed onto this phase under conditions relevant to a GDF environment. Such data are fundamental for predicting radionuclide mass transfer. Surface coordination chemistry and speciation of uranium with portlandite [Ca(OH) 2 ] under alkaline groundwater conditions (ca. pH 12) were determined by both in situ and ex situ grazing incidence extended X-ray absorption fine structure analysis (EXAFS) and by computational modelling at the atomic level. Free energies of sorption of aqueous uranyl hydroxides, [UO 2 (OH) n ] 2–n (n = 0–5) with the (001), (100) and (203) or (101) surfaces of portlandite are predicted from the potential of mean force using classical molecular umbrella sampling simulation methods and the structural interactions are further explored using fully periodic density functional theory computations. Although uranyl is predicted to only weakly adsorb to the (001) and (100) clean surfaces, there should be significantly stronger interactions with the (203/101) surface or at hydroxyl vacancies, both prevalent under groundwater conditions. The uranyl surface complex is typically found to include four equatorially coordinated hydroxyl ligands, forming an inner-sphere sorbate by direct interaction of a uranyl oxygen with surface calcium ions in both the (001) and (203/101) cases. In contrast, on the (100) surface, uranyl is sorbed with its axis more parallel to the surface plane. The EXAFS data are largely consistent with a surface structural layer or film similar to calcium uranate, but also show distinct uranyl characteristics, with the uranyl ion exhibiting the classic dioxygenyl oxygens at 1.8 Å and between four and five equatorial oxygen atoms at distances between 2.28 and 2.35 Å from the central U absorber. These experimental data are wholly consistent with the adsorbate configuration predicted by the computational models. These findings suggest that, under the strongly alkaline conditions of a cementitious backfill engineered barrier, there would be significant uptake of uranyl by portlandite to inhibit the mobility of U(VI) from the near field of a geological disposal facility.

36 MATERIALS SCIENCE↗

Static and Forced Oscillation Wind Tunnel Tests of A Tandem Propeller Configuration

A series of static and forced oscillation tests were conducted using a tandem propeller configuration in the NASA Langley 12-Foot Low-Speed Tunnel. The primary objectives were to quantify the effect of aerodynamic interactions on propeller thrust and identify conditions where the effect is most significant. A secondary objective was to obtain a preliminary data set from dynamic testing to assess the impact of angular rate on thrust performance. This paper presents analysis of the experimental data, which includes propeller performance measurements and qualitative flow visualization. The static results show that the rear propeller in the tandem configuration can experience thrust degradations greater than 30%. The extent of the wake interaction is a function of the hub separation distance and the advance ratio of the front propeller. Forced oscillation results showed that the front propeller exhibited primarily linear behavior across the conditions tested, whereas the rear propeller exhibited dynamic nonlinearity in the region of significant thrust degradation. These results are intended to support high-fidelity modeling research, particularly for flight dynamics simulation development to aid trajectory prediction, control design, and identification of hazardous conditions for multirotor vehicles.

Aerodynamic Interactions↗

Crossed beam energy transfer in the presence of laser speckle ponderomotive self-focusing and nonlinear sound waves

Crossed beam energy transfer, CBET, is investigated by taking into account the speckle structure of smoothed laser beams that overlap in a plasma with an inhomogeneous flow profile. Using the two-dimensional simulation code Harmony, it is shown how ponderomotive self-focusing of laser speckles in crossing beams can significantly affect the transfer of energy from one beam to the other. The role of plasma flow in speckle self-focusing is investigated and revisited, in particular its consequences in terms of redirection and increasing angular spread of the laser beams due to beam bending and plasma-induced smoothing, respectively. In close-to-sonic flow, the onset of self-focusing in the beam speckle structure occurs at considerably lower beam intensities than expected for the case without flow. CBET and speckle self-focusing can, hence, occur together when two crossed beams with equal frequency resonantly exchange energy via their ponderomotively driven density perturbations flowing with sound speed. From the simulations, it is found that consequences of ponderomotive self-focusing can be expected above an average intensity threshold scaling as $I_L~ 2 × 10^{14} W cm^{-2}(λ_0/1 μm)^{-2}(T_e/ keV)$, with an impact on the spatial and temporal coherence of the transmitted light. The density perturbations due to the ponderomotive force of the crossing beams can locally be enhanced in self-focusing speckles, partly leading to shock-like structures. These structures eventually increase the effect of plasma-induced smoothing and are at the origin of the stronger angular spread.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Website on Protein Interaction and Protein Structure Related Work

In today's world, three seemingly diverse fields - computer information technology, nanotechnology and biotechnology are joining forces to enlarge our scientific knowledge and solve complex technological problems. Our group is dedicated to conduct theoretical research exploring the challenges in this area. The major areas of research include: 1) Yeast Protein Interactions; 2) Protein Structures; and 3) Current Transport through Small Molecules.

Samanta, Manoj↗