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At least 469 records · Page 26

Condensation and Vaporization Studies of CH3OH and NH3 Ices: Major Implications for Astrochemistry

In an extension of previously reported work on ices containing H20, CO, CO2, SO2, H2S, and H2, We present measurements of the physical and infrared spectral properties of ices containing CH30H and NH3.The condensation and sublimation behavior of these ice systems is discussed and surface binding energies are presented for all of these molecules. The surface binding energies can be used to calculate the residence times of the molecules on grain surfaces as a function of temperature. It is demonstrated that many of the molecules used to generate radio maps of and probe conditions in dense clouds, for example CO and NH3, will be significantly depleted from the gas phase by condensation onto dust grains. Attempts to derive total column densities solely from radio maps that do not take condensation effects into account may vastly underestimate the true column densities of any given species. Simple CO condensation onto and vaporization off of grains appears to be capable of explaining the observed 87 of gas phase CO in cold, dense molecular cores. This is not the case for NH3, however, where thermal considerations alone predict that all of the NH3 should be condensed onto grains. The fact that some gas phase NH3 is observed indicates that additional desorption processes must be involved. The surface binding energies of CH3OH, in conjunction with this molecule's observed behavior during warm up in H2O-rich ices, is shown to provide an explanation of the large excess of CH3OH seen in many warm, dense molecular cores. The near-infrared spectrum and associated integrated band strengths of CH3OH-containing ice are given, as are middle infrared absorption band strengths for both CH3OH and NH3.

Sandford, Scott A.↗

Microgravity Combustion Science and Fluid Physics Experiments and Facilities for the ISS

At the NASA Glenn Research Center, the Microgravity Science Program supports both ground-based and flight experiment research in the disciplines of Combustion Science and Fluid Physics. Combustion Science research includes the areas of gas jet diffusion flames, laminar flames, burning of droplets and misting fuels, solids and materials flammability, fire and fire suppressants, turbulent combustion, reaction kinetics, materials synthesis, and other combustion systems. The Fluid Physics discipline includes the areas of complex fluids (colloids, gels, foams, magneto-rheological fluids, non-Newtonian fluids, suspensions, granular materials), dynamics and instabilities (bubble and drop dynamics, magneto/electrohydrodynamics, electrochemical transport, geophysical flows), interfacial phenomena (wetting, capillarity, contact line hydrodynamics), and multiphase flows and phase changes (boiling and condensation, heat transfer, flow instabilities). A specialized International Space Station (ISS) facility that provides sophisticated research capabilities for these disciplines is the Fluids and Combustion Facility (FCF). The FCF consists of the Combustion Integrated Rack (CIR), the Fluids Integrated Rack (FIR) and the Shared Accommodations Rack and is designed to accomplish a large number of science investigations over the life of the ISS. The modular, multiuser facility is designed to optimize the science return within the available resources of on-orbit power, uplink/downlink capacity, crew time, upmass/downmass, volume, etc. A suite of diagnostics capabilities, with emphasis on optical techniques, will be provided to complement the capabilities of the subsystem multiuser or principal investigator-specific experiment modules. The paper will discuss the systems concept, technical capabilities, functionality, and the initial science investigations in each discipline.

Lauver, Richard W.↗

Magnetic field induced phase transition in spinel GeNi 2 O 4

Cubic spinel GeNi 2 O 4 exhibits intriguing magnetic properties with two successive antiferromagnetic phase transitions (T N1 ≈ 12.1 and T N2 ≈ 11.4 K) with the absence of any structural transition. We have performed detailed heat capacity and magnetic measurements in different crystallographic orientations. A new magnetic phase in presence of magnetic field (H ≥ 4 T) along the [111] direction is revealed, which is not observed when the magnetic field is applied along the [100] and [110] directions. High field neutron powder diffraction measurements confirm such a change in magnetic phase, which could be ascribed to a spin reorientation in the presence of magnetic field. In conclusion, a strong magnetic anisotropy and competing magnetic interactions play a crucial role on the complex magnetic behavior in this cubic system.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Understanding and Controlling Photoexcited Molecules in Complex Environments (Final Technical Report)

Predicting the outcome of a photochemical reaction is complicated by factors outside the scope of tradition theoretical chemistry. On such small scales, fluctuations of the environment render outcomes stochastic, nonadiabatic dynamics blur the separation between nuclear and electronic motion, and ultrafast relaxation renders typical assumptions of equilibrium inappropriate. This project aimed to elucidate and control nonadiabatic molecular dynamics in condensed phases. We developed accurate, efficient simulation tools to study irreversible molecular processes computational across a range of scales. We applied these methodological advances to study electron transfer under exotic conditions where spin and topology opened new pathways for reactivity. We also brought these ideas to bare on light harvesting systems, where energy and charge transport are coupled, and where long lifetimes can be deleterious to function. These advances helped to establish general principles for chemical efficiency and guide the design of nanoscale energy materials, molecular machines, and related technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum materials for energy-efficient neuromorphic computing: Opportunities and challenges

Neuromorphic computing approaches become increasingly important as we address future needs for efficiently processing massive amounts of data. The unique attributes of quantum materials can help address these needs by enabling new energy-efficient device concepts that implement neuromorphic ideas at the hardware level. In particular, strong correlations give rise to highly non-linear responses, such as conductive phase transitions that can be harnessed for short- and long-term plasticity. Similarly, magnetization dynamics are strongly non-linear and can be utilized for data classification. This Perspective discusses select examples of these approaches and provides an outlook on the current opportunities and challenges for assembling quantum-material-based devices for neuromorphic functionalities into larger emergent complex network systems.

36 MATERIALS SCIENCE↗

Convective and Stratiform Precipitation Processes and their Relationship to Latent Heating

The global hydrological cycle is central to the Earth's climate system, with rainfall and the physics of its formation acting as the key links in the cycle. Two-thirds of global rainfall occurs in the Tropics. Associated with this rainfall is a vast amount of heat, which is known as latent heat. It arises mainly due to the phase change of water vapor condensing into liquid droplets; three-fourths of the total heat energy available to the Earth's atmosphere comes from tropical rainfall. In addition, fresh water provided by tropical rainfall and its variability exerts a large impact upon the structure and motions of the upper ocean layer. An improved convective -stratiform heating (CSH) algorithm has been developed to obtain the 3D structure of cloud heating over the Tropics based on two sources of information: 1) rainfall information, namely its amount and the fraction due to light rain intensity, observed directly from the Precipitation Radar (PR) on board the TRMM satellite and 2) synthetic cloud physics information obtained from cloud-resolving model (CRM) simulations of cloud systems. The cloud simulations provide details on cloud processes, specifically latent heating, eddy heat flux convergence and radiative heating/cooling, that. are not directly observable by satellite. The new CSH algorithm-derived heating has a noticeably different heating structure over both ocean and land regions compared to the previous CSH algorithm. One of the major differences between new and old algorithms is that the level of maximum cloud heating occurs 1 to 1.5 km lower in the atmosphere in the new algorithm. This can effect the structure of the implied air currents associated with the general circulation of the atmosphere in the Tropics. The new CSH algorithm will be used provide retrieved heating data to other heating algorithms to supplement their performance.

Tao, Wei-Kuo↗

Vacuum distillation/vapor filtration water recovery, phases 1 and 2

The research is reported on the development of an evaporator for vacuum distillation/vapor filtration VD/VF water reclamation system for use on manned space flights. The design, fabrication, and tests of a six-man evaporator are described. It is concluded that: (1) A condenser with an internal rotating impeller and coolant surfaces directly opposite the condensing surfaces is an effective condenser. (2) The VD/VF evaporator, catalyst unit and condenser function satisfactorily based on thermal, mechanical and recovery performance during a 145-hour evaluation test. (3) The quality of recovered water, as measured by analyses for total organic carbon, pH, conductivity, turbidity, and viable bacteria density was within established limits for potability.

Honegger, R. J.↗

Spectroscopic Identification of Carbamate Formation and Synergistic Binding in Amide–CO$^{–}_{2}$ Complexes

Carbamate formation is an elementary step that governs nitrogencentered nucleophilic CO 2 capture across diverse environments, yet a direct, structure-specific understanding has been lacking. Here, we report the first gas-phase characterization of closed-shell carbamate formation by deprotonated amides, using cryogenic ion trap vibrational spectroscopy combined with quantum chemical calculations. Reactions of deprotonated benzamide and isophthalamide anions with CO 2 form carbamate species, with the amide nitrogen serving as the nucleophilic site. Diagnostic, strongly red-shifted antisymmetric CO 2 stretching vibrational bands, supported by a bonding analysis, establish chemisorption with substantial charge transfer. In the multiamide system, an intramolecular N−H···O hydrogen bond provides synergistic stabilization, correlating with larger red shifts and more exothermic binding. These structure-assigned benchmarks provide molecular-level insights into the binding motif, charge redistribution, and hydrogen bond-mediated stabilization of amide carbamates, which aid the characterization of carbamate formation in condensed phase.

Amides↗

Design and test of a pumped two-phase mounting plate

The design, fabrication, and testing of the full-scale development unit of a pumped two-phase mounting plate (TPMP) used in advanced two-phase spacecraft thermal control systems are described. The mounting plate is tested with R-11 in the evaporator mode for total heat loads of over 3000 watts and local heat fluxes over 4 W/sq cm, and in the condenser mode with condenser loads from 60 to 400 watts and inlet qualities from 8 to 94 percent. The calculated heat-transfer coefficients are between 0.66 and 1.0 W/sq cm/C and are nearly independent of the flow rate and heat load except at very low heat loads. It is shown that the TPMP can be run with inlet conditions down to 22 C subcooling without any significant gradients in the plate and that it performs well with nonuniform heat fluxes.

Grote, M. G.↗

Numerical simulation of cloud and precipitation structure during GALE IOP-2

A regional scale model, LAMPS (Limited Area Mesoscale Prediction System), is used to investigate cloud and precipitation structure that accompanied a short wave system during a portion of GALE IOP-2. A comparison of satellite imagery and model fields indicates that much of the large mesoscale organization of condensation has been captured by the simulation. In addition to reproducing a realistic phasing of two baroclinic zones associated with a split cold front, a reasonable simulation of the gross mesoscale cloud distribution has been achieved.

Robertson, F. R.↗

A prototype heat pipe heat exchanger for the capillary pumped loop flight experiment

A Capillary Pumped Two-Phase Heat Transport Loop (CAPL) Flight Experiment, currently planned for 1993, will provide microgravity verification of the prototype capillary pumped loop (CPL) thermal control system for EOS. CAPL employs a heat pipe heat exchanger (HPHX) to couple the condenser section of the CPL to the radiator assembly. A prototype HPHX consisting of a heat exchanger (HX), a header heat pipe (HHP), a spreader heat pipe (SHP), and a flow regulator has been designed and tested. The HX transmits heat from the CPL condenser to the HHP, while the HHP and SHP transport heat to the radiator assembly. The flow regulator controls flow distribution among multiple parallel HPHX's. Test results indicated that the prototype HPHX could transport up to 800 watts with an overall heat transfer coefficient of more than 6000 watts/sq m-deg C. Flow regulation among parallel HPHX's was also demonstrated.

Ku, Jentung↗

The Interaction of Spacecraft Cabin Atmospheric Quality and Water Processing System Performance

Although designed to remove organic contaminants from a variety of waste water streams, the planned U.S.- and present Russian-provided water processing systems onboard the International Space Station (ISS) have capacity limits for some of the more common volatile cleaning solvents used for housekeeping purposes. Using large quantities of volatile cleaning solvents during the ground processing and in-flight operational phases of a crewed spacecraft such as the ISS can lead to significant challenges to the water processing systems. To understand the challenges facing the management of water processing capacity, the relationship between cabin atmospheric quality and humidity condensate loading is presented. This relationship is developed as a tool to determine the cabin atmospheric loading that may compromise water processing system performance. A comparison of cabin atmospheric loading with volatile cleaning solvents from ISS, Mir, and Shuttle are presented to predict acceptable limits to maintain optimal water processing system performance.

Perry, Jay L.↗

π phase shift across stripes in a charge density wave system

Many strongly correlated materials are characterized by deeply intertwined charge and spin order. Besides their high superconducting transition temperatures, one of the central features of these complex patterns in cuprates is a phase shift which occurs across lines of decreased hole density. That is, when doped away from their antiferromagnetic phase, the additional charge is not distributed uniformly, but rather in “stripes.” The sublattices preferentially occupied by up and down spin are reversed across these stripes, a phenomenon referred to as a “π phase shift.” Many of the spin-charge patterns, including the π phase shift, are reproduced by density matrix renormalization group and quantum Monte Carlo calculations of simplified tight binding (repulsive Hubbard) models. In this paper we demonstrate that this sublattice reversal is generic by considering the corresponding phenomenon in the attractive Hubbard Hamiltonian, where a charge density wave phase forms at half filling. Here, we introduce charge stripes via an appropriate local chemical potential; measurements of charge correlation across the resulting lines of lowered density reveal a clear π phase.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electronic structure, dimer physics, orbital-selective behavior, and magnetic tendencies in the bilayer nickelate superconductor $\mathrm{La_3Ni_2O_7}$under pressure

Motivated by the recently reported high-temperature superconductivity in the bilayer La 3 Ni 2 O 7 (LNO) under pressure, we comprehensively study this system using ab initio techniques. The Ni 3d orbitals have a large bandwidth at ambient pressure, increasing by ~22% at 29.5 GPa. Without electronic interactions, the Ni d 3z 2 -r 2 orbitals form a bonding-antibonding molecular orbital state via the O p z inducing a “dimer” lattice in the LNO bilayers. The Fermi surface consists of two-electron sheets with mixed e g orbitals and a hole pocket defined by the d 3z 2 -r 2 orbital, suggesting a Ni two-orbital minimum model. Different from the infinite-layer nickelate, we obtained a large interorbital hopping between d 3z 2 -r 2 and d x 2 -y 2 states in LNO, caused by the ligand “bridge” of in-plane O p x or p y orbitals connecting those two orbitals, inducing d-p σ-bonding characteristics. The competition between the intraorbital and interorbital hoppings leads to an interesting dominant spin stripe (π,0) order because of bond ferromagnetic tendencies via the recently discussed “half-empty” mechanism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Josephson dynamics in two-dimensional ring-shaped condensates

We investigate Josephson transport in a fully closed, two-dimensional superfluid circuit formed by a ring-shaped 87 Rb Bose-Einstein condensate that contains two optical barriers acting as movable weak links. Translating these barriers at controlled speeds imposes a steady bias current, enabling direct mapping of the current-chemical-potential (𝐼−Δ⁢𝜇) characteristics. For narrow junctions (𝑤 ≈ 1µ⁢m), the circuit exhibits a pronounced dc branch that terminates at a critical current 𝐼 𝑐 = 9⁢(1) × 10 3 s −1 ; above this threshold, the system switches to an ac, resistive regime. Classical-field simulations that include the moving barriers quantitatively reproduce both the nonlinear 𝐼−Δ⁢𝜇 curve and the measured 𝐼 𝑐 , validating the underlying microscopic picture. Analysis of the ensuing phase dynamics shows that dissipation is mediated by the nucleation and traversal of vortex-antivortex pairs through the junctions, while the bulk condensate remains globally phase locked—direct evidence of the ring's topological constraint enforcing quantized circulation. These results establish a cold-atom analog of a superconducting quantum interference device in which Josephson dynamics can be resolved at the single-vortex level, providing a versatile platform for atomtronic circuit elements, nonreciprocal Josephson devices, and on-chip Sagnac interferometers for multiaxis rotation sensing.

74 ATOMIC AND MOLECULAR PHYSICS↗

Shallow and Deep Latent Heating Modes Over Tropical Oceans Observed with TRMM PR Spectral Latent Heating Data

The global hydrological cycle is central to the Earth's climate system, with rainfall and the physics of its formation acting as the key links in the cycle. Two-thirds of global rainfall occurs in the Tropics. Associated with this rainfall is a vast amount of heat, which is known as latent heat. It arises mainly due to the phase change of water vapor condensing into liquid droplets; three-fourths of the total heat energy available to the Earth's atmosphere comes from tropical rainfall. In addition, fresh water provided by tropical rainfall and its variability exerts a large impact upon the structure and motions of the upper ocean layer. Three-dimensional distributions of latent heating estimated from Tropical Rainfall Measuring Mission Precipitation Radar (TRMM PR)utilizing the Spectral Latent Heating (SLH) algorithm are analyzed. Mass-weighted and vertically integrated latent heating averaged over the tropical oceans is estimated as approx.72.6 J/s (approx.2.51 mm/day), and that over tropical land is approx.73.7 J/s (approx.2.55 mm/day), for 30degN-30degS. It is shown that non-drizzle precipitation over tropical and subtropical oceans consists of two dominant modes of rainfall systems, deep systems and congestus. A rough estimate of shallow mode contribution against the total heating is about 46.7 % for the average tropical oceans, which is substantially larger than 23.7 % over tropical land. While cumulus congestus heating linearly correlates with the SST, deep mode is dynamically bounded by large-scale subsidence. It is notable that substantial amount of rain, as large as 2.38 mm day-1 in average, is brought from congestus clouds under the large-scale subsiding circulation. It is also notable that even in the region with SST warmer than 28 oC, large-scale subsidence effectively suppresses the deep convection, remaining the heating by congestus clouds. Our results support that the entrainment of mid-to-lower-tropospheric dry air, which accompanies the large-scale subsidence is the major factor suppressing the deep convection. Therefore, representation of the realistic entrainment is very important for proper reproduction of precipitation distribution and resultant large-scale circulation.

Takayabu, Yukari N.↗

When do short-range atomistic machine-learning models fall short?

In this work, we explore the role of long-range interactions in atomistic machine-learning models by analyzing the effects on fitting accuracy, isolated cluster properties, and bulk thermodynamic properties. Such models have become increasingly popular in molecular simulations given their ability to learn highly complex and multi-dimensional interactions within a local environment; however, many of them fundamentally lack a description of explicit long-range interactions. In order to provide a well-defined benchmark system with precisely known pairwise interactions, we chose as the reference model a flexible version of the Extended Simple Point Charge (SPC/E) water model. Our analysis shows that while local representations are sufficient for predictions of the condensed liquid phase, the short-range nature of machine-learning models falls short in representing cluster and vapor phase properties. These findings provide an improved understanding of the role of long-range interactions in machine learning models and the regimes where they are necessary.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Anomalous magnetothermoelectric behavior in massive Dirac materials

Extensive studies of electron transport in Dirac materials have shown positive magnetoresistance (MR) and positive magnetothermopower (MTP) in a magnetic field perpendicular to the excitation current or thermal gradient. In contrast, measurements of electron transport often show a negative longitudinal MR and negative MTP for a magnetic field oriented along the excitation current or thermal gradient; this is attributed to the chiral anomaly in Dirac materials. In this paper, we report a very different magnetothermoelectric transport behavior in the massive Dirac material ZrTe5. Although thin flakes show a commonly observed positive MR in a perpendicular magnetic field, distinct from other Dirac materials, we observe a sharp negative MTP. In a parallel magnetic field, we still observe a negative longitudinal MR, however, a remarkable positive MTP is observed for the fields parallel to the thermal gradients. Our theoretical calculations suggest that this anomalous magnetothermoelectric behavior can be attributed to the screened Coulomb scattering. This work demonstrates the significance of impurity scattering in the electron transport of topological materials and provides deep insight into the magnetotransport phenomena in Dirac materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗