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

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At least 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Steady state and dynamical structure of a cosmic-ray-modified termination shock

A hydrodynamic model is developed for the structure of a cosmic-ray-modified termination shock. The model is based on the two-fluid equations of diffuse shock acceleration (Drury and Volk, 1981). Both the steady state structure of the shock and its interaction with outer heliospheric disturbances are considered. Under the assumption that the solar wind is decelerated by diffusing interstellar cosmic rates, it is shown that the natural state of the termination shock is a gradual deceleration and compression, followed by a discontinuous jump to a downstream state which is dominated by the pressure contribution of the cosmic rays. A representative model is calculated for the steady state which incorporates both interstellar cosmic ray mediation and diffusively accelerated anomalous ions through a proposed thermal leakage mechanism. The interaction of large-scale disturbances with the equilibrium termination shock model is shown to result in some unusual downstream structure, including transmitted shocks and cosmic-ray-modified contact discontinuities. The structure observed may be connected to the 2-kHz outer heliospheric radio emission (Cairns et al., 1992a, b). The time-dependent simulations also demonstrate that interaction with solar wind compressible turbulence (e.g., traveling interplanetary shocks, etc.) could induce the termination shock to continually fluctuate between cosmic-ray-dominated and gas-dynamic states. This fluctuation may represent a partial explanation of the galactic cosmic ray modulation effect and illustrates that the Pioneer and Voyager satellites will encounter an evolving shock whose structure and dynamic properties are strongly influence by the mediation of interstellar and anomalous cosmic rays.

Donohue, D. J.↗
NASA NTRS1999

Dynamics of Single Chains of Suspended Ferrofluid Particles

We present an experimental study of the dynamics of isolated chains made of super-paramagnetic particles under the influence of a magnetic field. The motivation of this work is to understand if the chain fluctuations exist and, if it does, how does the fluctuation affect chain aggregation. We find that single chains strongly fluctuate and that the characteristic frequency of their fluctuations is inversely proportional to the magnetic field strength. The higher the field the lower the characteristic frequency of the chain fluctuations. In the high magnetic field limit, chains behave like rigid rods without any internal motions. In this work, we used ferrofluid particles suspended in water. These particles do not have any intrinsic magnetization. Once a magnetic field is applied, a dipole moment is induced in each particle, proportional to the magnetic field. A dipolar magnetic interaction then occurs between particles. If dipole-dipole magnetic energy is higher than the thermal energy, the result is a structure change inside the dipolar fluid. The ratio of these two energies is expressed by a coupling constant lambda as: lambda = (pi(a(exp 3))(chi(exp 2))(mu(sub 0))(H(sub 0))(exp 2))/18kT Where a is the particle radius, mu(sub 0) is the vacuum magnetic permeability, H(sub 0) the applied magnetic field, k the Boltzmann constant and T the absolute temperature. If lambda > 1, magnetic particles form chains along the field direction. The lateral coalescence of several chains may form bigger aggregates especially if the particle volume fraction is high. While many studies and applications deal with the rheological properties and the structural changes of these dipolar fluids, this work focuses on the understanding of the chain dynamics. In order to probe the chain dynamics, we used dynamic light scattering (DLS) in self-beating mode as our experimental technique. The experimental geometry is such that the scattering plane is perpendicular to the magnetic field. Therefore, only motions in this plane are probed. A very dilute sample of a ferrofluid emulsion with a particle volume fraction of 10(exp -5) is used in this experiment. We chose such a low volume fraction to avoid multiple light scattering as well as lateral chain-chain aggregation. DLS measures the dynamic structure factor S(q,t) of the sample (q is the scattering wave vector, t is the time). In the absence of the magnetic field, identical particles of ferrofluid droplets are randomly distributed and S(q,t) reduces to exp(-q(exp 2)2D(sub 0)t). D(sub 0)=(kT/(6(pi)(eta)(a)) is the diffusion coefficient of Brownian particles (where Xi = (6(pi)(eta)(a)) is the Stokes frictional coefficient of a spherical particle in a fluid of viscosity eta). If interactions or polydispersity can not be ignored, an effective diffusion coefficient is introduced. Formally, D(sub eff) is defined as: D(sub eff) = - q(exp -2) partial derivative of (ln(S(q,t)) with respect to time, as t goes to 0. D(sub eff) reduces to D(sub 0) if no interactions and only a few particles size are present. Therefore, we can use DLS to measure particle size. The particle radius was found to be a=0.23 mu m with 7% of polydispersity. In this case, if we vary the scattering angle theta (and so q) we do not have any change in the measured diffusion coefficient: it is q-independent. When a magnetic field is applied, particles aggregate into chains if lambda > 1. We first studied the kinetics of the chain formation when lambda = 406. At a fixed scattering angle, we measured diffusion coefficient D(sub eff) as a function of time. Experimentally, we find that D(sub eff) decreases monotonously with time. Physically, this means that chains are becoming longer and longer. Since we are only sensitive to motions in the scattering plane and since chains have their main axis perpendicular to this plane, the measured diffusion coefficient is the trans-verse diffusion coefficient. We can relate D(sub eff) to the mean number of particles per chain N(t) at a given time and to the diffusion coefficient of an isolated particle D(sub 0) as D(sub eff)=f(N(t))D(sub 0). Since f(N) is known from other recent work, N can be expressed as a function of the time. We found a square root dependency: N(t) proportional to the square root of t. As expected for very low volume fraction, this behavior is characteristic of a diffusion-limited aggregation as suggested by several authors and by our previous work. In this study, we focus on the dependence of the effective diffusion coefficient on the scattering angle and the magnetic field strength. After the magnetic field is applied (lambda = 406) for a long time, typically 6 hours, kinetics of chain formation becomes very slow. Chain size does not vary much over the next hour period. Thus, we can perform different interesting experiments. First, at a fixed magnetic field, we measure the effective diffusion coefficient as a function of the scattering angle (from 5 to 130 deg). Our results show that the measured diffusion coefficient increases linearly with the scattering angle: D(sub eff) proportional to q. If we do the same experiment for different lambda values, D(sub eff) depends on lambda as D(sub eff) proportional to lambda(exp -1/2). We also find for different lambda values that the same asymptotic D(sub eff) value is obtained when q approaches zero. The angle dependency of D(sub eff) suggests that an additional motion exists besides chain drifting. Chain size is constant during experiment, which was verified by measuring the same diffusion coefficient at the beginning and at the end of the angle switching. If chains are rigid, D(sub eff) is independent of q. Therefore, we found that D(sub eff) not only measures the motion of the entire chain but also its internal fluctuations. These internal motions are the fluctuations of the particles in the chain. To understand the q dependency of D(sub eff), let us look at the probing length used. In our study, the characteristic length scale probed is l=2pi/q which is in the range of 0.9<l/a<20. When l is much larger than the particle radius (l/a going to infinity) we are mainly sensitive to the center of mass diffusion of the chain. D(sub eff) is then the diffusion of the entire chain and depends only on N but not on q and lambda. The value D(sub eff) allows us to obtain the number of particles per chain N. In the opposite limit (i.e. l/a < 1), we are sensitive to motions on the size of individual particles. The main contributions to the measured diffusion coefficient come from internal motions of the chains (i.e. particles' fluctuations inside the chain). We investigated also the effect of the chain size on D(sub eff). For the same value of the magnetic interaction lambda and different chain sizes, we found that the slope of D(sub eff) versus q decreases when N increases as a power law D(sub eff) proportional to N(exp -0.7). This is an important behavior because this means that the longer the chain the slower its internal fluctuations besides the whole chain motion.

Cutillas, S.↗
NASA NTRSDate not supplied

Multiphase Computational Fluid Dynamics Simulation of Ignition Overpressure and Plume-Water Interaction in the SLS Scale Model Acoustics Test

The solid rocket boosters (SRBs) on the Space Launch System (SLS) generate powerful ignition overpressure (IOP) waves that can potentially damage the vehicle and surrounding ground structures. Based on historical Shuttle experience, the IOP will be mitigated by utilizing an IOP/Sound Suppression (SS) water system which sprays water in and around the SRB and RS-25 engine plumes. However, the complex multiphase physics of the resulting plume-water interaction can lead to undesirable effects, such as high velocity water spray onto the engine nozzles and SRB nozzle side loads. Prior to launch, insight into this environment can be achieved through scale model testing and predictive computational fluid dynamics (CFD) modeling. The Scale Model Acoustic Test (SMAT) was conducted at Marshall Space Flight Center to provide the data necessary to develop the SLS liftoff acoustic environments by using a 5% scale SLS vehicle, fully integrated with a scaled IOP/SS water system, mobile launcher (ML), and tower. NASA engineers have put forth significant effort in validating the Loci/CHEM-Real Fluids multiphase CFD solver on a wet hold down test from the SMAT series. In this paper, the IOP acoustics and plume-water interactions predicted by the CFD model are compared and validated against the experiment, enabling relatively inexpensive, rapid turnaround for multiphase launch environment analyses to support future flights and design evolutions of SLS and other launch vehicles.

John E. Soto↗
DOE OSTI2024

Forest structural complexity and ignition pattern influence simulated prescribed fire effects

Background: Forest structural characteristics, the burning environment, and the choice of ignition pattern each influence prescribed fire behaviors and resulting fire effects; however, few studies examine the influences and interactions of these factors. Understanding how interactions among these drivers can influence prescribed fire behavior and effects is crucial for executing prescribed fires that can safely and effectively meet management objectives. To analyze the interactions between the fuels complex and ignition patterns, we used FIRETEC, a three-dimensional computational fluid dynamics fire behavior model, to simulate fire behavior and effects across a range of horizontal and vertical forest structural complexities. For each forest structure, we then simulated three different prescribed fires each with a unique ignition pattern: strip-head, dot, and alternating dot. Results: Forest structural complexity and ignition pattern affected the proportions of simulated crown scorch, consumption, and damage for prescribed fires in a dry, fire-prone ecosystem. Prescribed fires in forests with complex canopy structures resulted in increased crown consumption, scorch, and damage compared to less spatially complex forests. The choice of using a strip-head ignition pattern over either a dot or alternating-dot pattern increased the degree of crown foliage scorched and damaged, though did not affect the proportion of crown consumed. We found no evidence of an interaction between forest structural complexity and ignition pattern on canopy fuel consumption, scorch, or damage. Conclusions: We found that forest structure and ignition pattern, two powerful drivers of fire behavior that forest managers can readily account for or even manipulate, can be leveraged to influence fire behavior and the resultant fire effects of prescribed fire. These simulation findings have critical implications for how managers can plan and perform forest thinning and prescribed burn treatments to meet risk management or ecological objectives.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1977

Vibroacoustic response of structures and perturbation Reynolds stress near structure-turbulence interface

The interaction between a turbulent flow and certain types of structures which respond to its excitation is investigated. One-dimensional models were used to develop the basic ideas applied to a second model resembling the fuselage construction of an aircraft. In the two-dimensional case a simple membrane, with a small random variation in the membrane tension, was used. A decaying turbulence was constructed by superposing infinitely many components, each of which is convected as a frozen pattern at a different velocity. Structure-turbulence interaction results are presented in terms of the spectral densities of the structural response and the perturbation Reynolds stress in the fluid at the vicinity of the interface.

Maekawa, S.↗
NASA NTRS1992

Problem: Thirst, Drinking Behavior, and Involuntary Dehydration

The phenomenon of involuntary dehydration, the delay in full restoration of a body water deficit by drinking, has been described extensively but relatively little is known about its physiological mechanism. It occurs primarily in humans when they are exposed to various stresses including exercise, environmental heat and cold, altitude, water immersion, dehydration, and perhaps microgravity, singly and in various combinations. The level of involuntary dehydration is approximately proportional to the degree of total stress imposed on the body. Involuntary dehydration appears to be controlled by more than one factor including social customs that influence what is consumed, the capacity and rate of fluid absorption from the gastrointestinal system, the level of cellular hydration involving the osmotic-vasopressin interaction with sensitive cells or structures in the central nervous system, and, to a lesser extent, hypovolemic-angiotensin II stimuli. Since humans drink when there is no apparent physiological stimulus, the psychological component should always be considered when investigating the total mechanisms for drinking.

Greenleaf, John E.↗
NASA NTRS1993

A finite-element-based perturbation model for the rotordynamic analysis of shrouded pump impellers: Part 1: Model development and applications

This study concerns the rotor dynamic characteristics of fluid-encompassed rotors, with special emphasis on shrouded pump impellers. The core of the study is a versatile and categorically new finite-element-based perturbation model, which is based on a rigorous flow analysis and what we have generically termed the 'virtually' deformable finite-element approach. The model is first applied to the case of a smooth annular seal for verification purposes. The rotor excitation components, in this sample problem, give rise to a purely cylindrical, purely conical, and a simultaneous cylindrical/conical rotor whirl around the housing centerline. In all cases, the computed results are compared to existing experimental and analytical data involving the same seal geometry and operating conditions. Next, two labyrinth-seal configurations, which share the same tooth-to-tooth chamber geometry but differ in the total number of chambers, were investigated. The results, in this case, are compared to experimental measurements for both seal configurations. The focus is finally shifted to the shrouded-impeller problem, where the stability effects of the leakage flow in the shroud-to-housing secondary passage are investigated. To this end, the computational model is applied to a typical shrouded-impeller pump stage, fabricated and rotor dynamically tested by Sulzer Bros., and the results compared to those of a simplified 'bulk-flow' analysis and Sulzer Bros.' test data. In addition to assessing the computed rotor dynamic coefficients, the shrouded-impeller study also covers a controversial topic, namely that of the leakage-passage inlet swirl, which was previously cited as the origin of highly unconventional (resonance-like) trends of the fluid-exerted forces. In order to validate this claim, a 'microscopic' study of the fluid/shroud interaction mechanism is conducted, with the focus being on the structure of the perturbed flow field associated with the impeller whirl. The conclusions of this study were solidified by the outcome of a numerical-certainty exercise, where the grid dependency of the numerical results is objectively examined. The final phase of the shrouded-impeller investigation involves the validation of a built-in assumption, in all other perturbation models, whereby single-harmonic tangential distributions of all the flow thermophysical properties are imposed. The last phase of the investigation course is aimed at verifying the fine details of the perturbed flow field in light of recent set of detailed LDA measurements in a smooth annular seal. Grid dependency of the fluid-induced forces is also investigated, and specific recommendations are made.

Baskharone, Erian A.↗
DOE OSTI2025

Carbon nanotube nanofluidics

Fluid flow under extreme spatial confinement exhibits unusual physical behaviors. This nanofluidic transport regime is relevant to a variety of mass transport, separation, and energy production processes in biological and industrial systems. Carbon nanotubes (CNTs) offer a nearly ideal platform for exploring nanofluidic transport because of their extremely narrow, smooth, hydrophobic inner pores, which enable very fast molecular flow while providing strong selectivity. In this review, we aim to provide a comprehensive understanding of nanofluidics in CNTs, focusing on the basic physics of mass transport in CNTs, various experimental platforms developed to investigate these phenomena, and key results on the permeation of water, protons, and ions. We focus on the critical factors that influence transport efficiency and selectivity, such as slip flow and charge regulation in CNTs, and the roles of entrance effects, dehydration processes and ion–charge interactions at the CNT entrances. We also explore the confinement effects, highlighting how the unique one-dimensional structure of CNTs imposes distinct constraints on fluid behavior and leads to novel single-file transport phenomena. Finally, we address current challenges and future directions of CNT nanofluidics.

Li, Zhongwu [Lawrence Livermore National Laborator↗
NASA NTRS2005

Heart Pump Design for Cleveland Clinic Foundation

Through a Lewis CommTech Program project with the Cleveland Clinic Foundation, the NASA Lewis Research Center is playing a key role in the design and development of a permanently implantable, artificial heart pump assist device. Known as the Innovative Ventricular Assist System (IVAS), this device will take on the pumping role of the damaged left ventricle of the heart. The key part of the IVAS is a nonpulsatile (continuous flow) artificial heart pump with centrifugal impeller blades, driven by an electric motor. Lewis is part of an industry and academia team, led by the Ohio Aerospace Institute (OAI), that is working with the Cleveland Clinic Foundation to make IVAS a reality. This device has the potential to save tens of thousands of lives each year, since 80 percent of heart attack victims suffer irreversible damage to the left ventricle, the part of the heart that does most of the pumping. Impeller blade design codes and flow-modeling analytical codes will be used in the project. These codes were developed at Lewis for the aerospace industry but will be applicable to the IVAS design project. The analytical codes, which currently simulate the flow through the compressor and pump systems, will be used to simulate the flow within the blood pump in the artificial heart assist device. The Interdisciplinary Technology Office heads up Lewis' efforts in the IVAS project. With the aid of numerical modeling, the blood pump will address many design issues, including some fluid-dynamic design considerations that are unique to the properties of blood. Some of the issues that will be addressed in the design process include hemolysis, deposition, recirculation, pump efficiency, rotor thrust balance, and bearing lubrication. Optimum pumping system performance will be achieved by modeling all the interactions between the pump components. The interactions can be multidisciplinary and, therefore, are influenced not only by the fluid dynamics of adjacent components but also by thermal and structural effects. Lewis-developed flow-modeling codes to be used in the pump simulations will include a one-dimensional code and an incompressible three-dimensional Navier-Stokes flow code. These codes will analyze the prototype pump designed by the Cleveland Clinic Foundation. With an improved understanding of the flow phenomena within the prototype pump, design changes to improve the performance of the pump system can be verified by computer prior to fabrication in order to reduce risks. The use of Lewis flow modeling codes during the design and development process will improve pump system performance and reduce the number of prototypes built in the development phase. The first phase of the IVAS project is to fully develop the prototype in a laboratory environment that uses a water/glycerin mixture as the surrogate fluid to simulate blood. A later phase of the project will include testing in animals for final validation. Lewis will be involved in the IVAS project for 3 to 5 years.

Source record↗
DOE OSTI2024

New Opportunities for Neutrons in Environmental and Biological Sciences

The use of neutron methods in environmental and biological sciences is rapidly emerging and accelerating with the development of new instruments at neutron user facilities. This article, based on a workshop held at Oak Ridge National Laboratory (ORNL), offers insights into the application of neutron techniques in environmental and biological sciences. Here we highlight recent advances and identify key challenges and potential future research areas. These include soil and rhizosphere processes, root water dynamics, plant-microbe interactions, structure and dynamics of biological systems, applications in synthetic biology and enzyme engineering, next-generation bioproducts, biomaterials and bioenergy, nanoscale structure, and fluid dynamics of porous materials in geochemistry. We provide an outlook on emerging opportunities with an emphasis on new capabilities that will be enabled at the Spallation Neutron Source Second Target Station currently under design at ORNL. The mission of scientific neutron user facilities worldwide is to enable science using state-of-the-art neutron capabilities. We aim to encourage researchers in the environmental and biological research community to explore the unique capability afforded by neutrons at these facilities.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Polarization phenomenon in heavy-ion collisions

The strongly interacting system created in ultrarelativistic nuclear collisions behaves almost as an ideal fluid with rich patterns of the velocity field exhibiting strong vortical structure. Vorticity of the fluid, via spin-orbit coupling, leads to particle spin polarization. Due to the finite orbital momentum of the system, the polarization on average is not zero. It depends on the particle momenta reflecting the spatial variation of the local vorticity. In the last few years, this field experienced a rapid growth due to experimental discoveries of the global and local polarizations. Recent measurements triggered further development of the theoretical description of the spin dynamics and suggestions of several new mechanisms for particle polarization. In this review, we focus mostly on the experimental results. We compare the measurements with the existing theoretical calculations but try to keep the discussion of possible underlying physics at the qualitative level. Future measurements and how they can help to answer open theoretical questions are also discussed. We pay a special attention to the employed experimental methods, as well as to the detector effects and associated corrections to the measurements.

Physics↗
NASA NTRS1984

Navier-Stokes calculations for unsteady three-dimensional vortical flows in unbounded domains

Finite-difference Navier-Stokes calculations for unsteady, three-dimensional, incompressible, viscous flows induced by initial vorticity distributions are presented and discussed in this paper. The initial vorticity distributions are assumed to be embedded in a flow field of infinite extent that is quiescent at infinity. These vorticity distributions are typical of vortex rings and other closed vortical tubes or structures. Such structures are important elements in fluid flows such as jets, atmospheric convection and the far-field wakes of aircraft; studies of their interaction may aid in an understanding of complex fluid flows. The calculations employ a method recently proposed by Ting to approximate the infinite-domain boundary value problem with a finite boundary computational domain, and this method is shown to yield accurate three-dimensional results for reasonable expenditures of computer time. Because of the efficiency of the boundary condition technique and the resulting Navier-Stokes code, a 16-bit minicomputer with virtual memory was capable of performing the calculations for the unsteady motion of two obliquely colliding vortex rings. The results of these calculations are presented in the paper.

Chamberlain, J. P.↗
NASA NTRS2003

Flow Field Measurement of Mixing Driven by Buoyancy

Mixing driven by buoyancy-induced flows inside a cavity consists of stretching and folding of an interface. Measurement of the flow field using particle imaging velocimetry shows that during stretching the flow field has a single elliptic point, thus dominated by a single vortex. However, global bifurcation that results in folding introduces a hyperbolic point whereby the flow field degenerates to multiple vortex interactions. The short-lived coherent structure observed during mixing which results in the Rayleigh- Taylor morphology is attributed to vortex interactions. The mixing characteristics of non-homogeneous fluids driven by buoyancy are important towards understanding transport phenomenon in a microgravity environment. Mixing consists of stretching and folding of an interface due to a flow field whose intensity depends on the body force. For miscible liquids, the characteristic of the flow field determines whether mass transport is governed by diffusion or bulk stirring which induces mixing. For technologically important processes, transport of mass is governed by the coupling of the body force to scalar gradients such as concentration and or temperature' 2 3 . In order to lend insight into these classes of problems we consider a model experimental system to study mixing driven by buoyancy-induced flows. The characteristics of mixing is addressed from detail measurements of the flow field using particle imaging velocimetry (PIV), and its corresponding interface dynamics using image processing techniques.

Batur, C.↗
NASA NTRS1974

Perturbation theory of structure in classical liquid mixtures: Application to metallic systems near phase separation

The partial structure factors of classical simple liquid mixtures near phase separation are dicussed. The theory is developed for particles interacting through pair potentials, and is thus appropriate both to insulating fluids, and also to metallic systems if these may be described by an effective ion-ion pair interaction. The motivation arose from consideration of metallic liquid mixtures, in which resistive anomalies have been observed near phase separation. A mean field theory correction appropriate to 3 pair potential for the effects of correlated motions in the reference fluid is studied. The work is cast in terms of functions which are closely related to the direct correlation functions of Ornstein and Zernike. The results are qualitatively in accord with physical expectations. Quantitative agreement with experiment seems to turn on the selection of the hard core reference potential in terms of the metallic effective pair potential. It is suggested that the present effective pair potentials are perhaps not properly used to calculate the metallic structure factors at long wavelength.

Henderson, R. L.↗
NASA NTRS2003

The Fluids Integrated Rack and Light Microscopy Module Integrated Capabilities

The Fluids Integrated Rack (FIR), a facility class payload, and the Light Microscopy Module (LMM), a subrack payload, are scheduled to be launched in 2005. The LMM integrated into the FIR will provide a unique platform for conducting fluids and biological experiments on ISS. The FIR is a modular, multi-user scientific research facility that will fly in the U.S. laboratory module, Destiny, of the International Space Station (ISS). The first payload in the FIR will be the Light Microscopy Module (LMM). The LMM is planned as a remotely controllable, automated, on-orbit microscope subrack facility, allowing flexible scheduling and control of fluids and biology experiments within the FIR. Key diagnostic capabilities for meeting science requirements include video microscopy to observe microscopic phenomena and dynamic interactions, interferometry to make thin film measurements with nanometer resolution, laser tweezers for particle manipulation, confocal microscopy to provide enhanced three-dimensional visualization of structures, and spectrophotometry to measure photonic properties of materials. The LMM also provides experiment sample containment for frangibles and fluids. This paper will provide a description of the current FIR and LMM designs, planned capabilities and key features. In addition a brief description of the initial five experiments planned for LMM/FIR will be provided.

Motil, Susan M.↗
DOE OSTI2023

Chemistry and Dynamics of Supercritical Carbon Dioxide and Methane in the Slit Pores of Layered Silicates

In the mid 2010s, high-pressure diffraction and spectroscopic tools opened a window into the molecular-scale behavior of fluids at the conditions of many CO 2 sequestration and shale/tight gas reservoirs - conditions where CO 2 and CH 4 are present as variably wet supercritical fluids. Integrating high-pressure spectroscopy and diffraction with molecular modeling has revealed much about the ways that supercritical CO 2 and CH 4 behave in reservoir components, particularly in the slit-shaped micro- and meso-pores of layered silicates (phyllosilicates) abundant in caprocks and shales. This Account summarizes how supercritical CO 2 and CH 4 behave in the slit pores of swelling phyllosilicates as functions of the H 2 O activity, framework structural features, and charge-balancing cation properties at 90 bar and 323 K – conditions similar to a reservoir at ~1 km depth. Slit pores containing cations with large radii, low hydration energy, and large polarizability readily interact with CO 2 , allowing CO 2 and H 2 O to adsorb and co-exist in these interlayer pores over a wide range of fluid humidities. In contrast, cations with small radii, high hydration energy, and low polarizability weakly interact with CO 2 leading to reduced CO 2 uptake and a tendency to exclude CO 2 from interlayers when H 2 O is abundant. The reorientation dynamics of confined CO 2 depends on the interlayer pore height, which is strongly influenced by the cation properties, framework properties, and fluid humidity. The silicate structural framework also influences CO 2 uptake and behavior - for example, smectites with increasing F-for-OH substitution in the framework take up greater quantities of CO 2 . Reactions that trap CO 2 in carbonate phases have been observed in thin H 2 O films near smectite surfaces, including a dissolution-reprecipitation mechanism when the edge surface area is high and an ion exchange-precipitation mechanism when the interlayer cation can form a highly insoluble carbonate. In contrast, supercritical CH 4 does not readily associate with cations, does not react with smectites, and is only incorporated into interlayer slit mesopores when (i) the pore has a $z$-dimension large enough to accommodate CH 4 , (ii) the smectite has low charge and (iii) the H 2 O activity is low. In conclusion, the adsorption and displacement of CH 4 by CO 2 and vice-versa have been studied on the molecular scale in one shale, but opportunities remain to examine behavioral details in this more complicated, slit-pore inclusive system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Bounds on Velocity-dependent Dark Matter–Proton Scattering from Milky Way Satellite Abundance

We use the latest measurements of the Milky Way satellite population from the Dark Energy Survey and Pan-STARRS1 to infer the most stringent astrophysical bound to date on velocity-dependent interactions between dark matter particles and protons. We model the momentum-transfer cross section as a power law of the relative particle velocity v with a free normalizing amplitude, σ MT = σ 0 v n , to broadly capture the interactions arising within the nonrelativistic effective theory of dark matter–proton scattering. The scattering leads to a momentum and heat transfer between the baryon and dark matter fluids in the early universe, ultimately erasing structure on small physical scales and reducing the abundance of low-mass halos that host dwarf galaxies today. From the consistency of observations with the cold collisionless dark matter paradigm, using a new method that relies on the most robust predictions of the linear perturbation theory, we infer an upper limit on σ0 of 1.4 × 10 -23 , 2.1 × 10 -19 , and 1.0 × 10 -12 cm 2 , for interaction models with n = 2, 4, and 6, respectively, for a dark matter particle mass of 10 MeV. These results improve observational limits on dark matter–proton scattering by orders of magnitude and thus provide an important guide for viable sub-GeV dark matter candidates.

79 ASTRONOMY AND ASTROPHYSICS↗