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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 595 records · Page 33

Optimizing qPlus sensor assemblies for simultaneous scanning tunneling and noncontact atomic force microscopy operation based on finite element method analysis

Quartz tuning forks that have a probe tip attached to the end of one of its prongs while the other prong is arrested to a holder (“qPlus” configuration) have gained considerable popularity in recent years for high-resolution atomic force microscopy imaging. The small size of the tuning forks and the complexity of the sensor architecture, however, often impede predictions on how variations in the execution of the individual assembly steps affect the performance of the completed sensor. Extending an earlier study that provided numerical analysis of qPlus-style setups without tips, this work quantifies the influence of tip attachment on the operational characteristics of the sensor. The results using finite element modeling show in particular that for setups that include a metallic tip that is connected via a separate wire to enable the simultaneous collection of local forces and tunneling currents, the exact realization of this wire connection has a major effect on sensor properties such as spring constant, quality factor, resonance frequency, and its deviation from an ideal vertical oscillation.

42 ENGINEERING↗

Wind tunnel tests of a symmetrical airfoil with scoop fed slots

The design and wind tunnel test of a model vertical tail fin is described in this report. The model is designed to provide the aerodynamic forces necessary for lateral stabilization without moving parts or a separate source of power. It employs scoop-fed slots on both surfaces of the symmetrical airfoil. They are to be controlled differentially by means of a fluidic amplifier to implement an automatic fulltime lateral stabilization system. The results of tests show that the control of forces is stable and quite linear in various modes of operation. Significant forces were produced that can be increased as necessary by increasing slot size and scoop size. Slots can be located ahead of the conventional rudder and the scoop can be at the base of the vertical tail fin to avoid the need for major changes in conventional aircraft design. The first phase of the work demonstrated the feasibility of no-moving-parts aircraft control. The second phase established that a practical fluidic amplifier can be built to control slot flows from fluidic signals. Recommendations are made to optimize the design of the fluidic amplifier and to characterize its dynamic response in support of further analytical studies.

Belsterling, C. A.↗

Relation between single-molecule properties and phase behavior of intrinsically disordered proteins

Significance Some proteins can undergo phase separation in vivo to form membraneless organelles with distinct physiological functions. In many cases, the driving force is believed to be the intrinsically disordered domains that lack regular structural features and can phase separate in vitro. Relating protein sequences to phase-separation propensity is the goal of this work. Toward this goal, we highlight the connection between the temperature where a single chain collapses, the temperature where interactions within a dilute solution favor self-association, and the critical temperature of phase separation. Our results show that these characteristic temperatures are highly correlated, suggesting that experiments performed in dilute conditions may be used to predict phase separation.

59 BASIC BIOLOGICAL SCIENCES↗

Electromagnetic Casimir piston in higher-dimensional spacetimes

We consider the Casimir effect of the electromagnetic field in a higher-dimensional spacetime of the form MxN, where M is the four-dimensional Minkowski spacetime and N is an n-dimensional compact manifold. The Casimir force acting on a planar piston that can move freely inside a closed cylinder is investigated. Different combinations of perfectly conducting boundary conditions and infinitely permeable boundary conditions are imposed on the cylinder and the piston. It is verified that if the piston and the cylinder have the same boundary conditions, the piston is always going to be pulled towards the closer end of the cylinder. However, if the piston and the cylinder have different boundary conditions, the piston is always going to be pushed to the middle of the cylinder. By taking the limit where one end of the cylinder tends to infinity, one obtains the Casimir force acting between two parallel plates inside an infinitely long cylinder. The asymptotic behavior of this Casimir force in the high temperature regime and the low temperature regime are investigated for the case where the cross section of the cylinder in M is large. It is found that if the separation between the plates is much smaller than the size of N, the leading term of the Casimir force is the same as the Casimir force on a pair of large parallel plates in the (4+n)-dimensional Minkowski spacetime. However, if the size of N is much smaller than the separation between the plates, the leading term of the Casimir force is 1+h/2 times the Casimir force on a pair of large parallel plates in the four-dimensional Minkowski spacetime, where h is the first Betti number of N. In the limit the manifold N vanishes, one does not obtain the Casimir force in the four-dimensional Minkowski spacetime if h is nonzero. Therefore the data obtained from Casimir experiments suggest that the first Betti number of the extra dimensions should be zero.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Development of polymer 'chips' used in medical diagnostics

In recent years, there has been growing interest in creating bio-inspired devices that feature artificial bilayer lipid membranes (BLM), or lipid bilayers. These membranes can be tailored to mimic the structure and transport properties of cellular walls and can be used to selectively transport ions and other species between aqueous volumes. One application of this research is the formation of a standardized BLM contained within a portable and disposable housing for use in medical diagnostics. This concept utilizes a flexible polymer 'chip' that has internal compartments for housing both an organic solvent and an aqueous solution, which contains phospholipid molecules, proteins, and specific analyte molecules. The formation of a BLM within the chip enables integration of the chip into an electronic reader to perform diagnostic measurements of the sample. A key element of the bilayer formation process requires a single aqueous volume to first be separated into multiple volumes such that it can then be reattached to form a bilayer at the interface. This process, called the regulated attachment method, relies on the geometry of the deformable 'chip' to separate and reattach the aqueous contents held inside by opening and closing an aperture that divides adjacent compartments through the application of mechanical force. The purpose of this research is to develop an optimized chip that provides a controllable method for initially separating the aqueous phase via dynamic excitation. This study focuses on two specific aspects: designing an efficient excitation method for separating the aqueous volume, and optimizing the geometry of the chip to decrease the required input energy and better target the location and duration of the separation. Finite Element (FE) models are used to optimize the chip geometry and to identify suitable excitation signals. A series of experimental studies are also presented to validate the FE models.

42 ENGINEERING↗

The slingshot effect: A possible new laser-driven high energy acceleration mechanism for electrons

We show that under appropriate conditions the impact of a very short and intense laser pulse onto a plasma causes the expulsion of surface electrons with high energy in the direction opposite to the one of the propagations of the pulse. This is due to the combined effects of the ponderomotive force and the huge longitudinal field arising from charge separation (“slingshot effect”). The effect should also be present with other states of matter, provided the pulse is sufficiently intense to locally cause complete ionization. An experimental test seems to be feasible and, if confirmed, would provide a new extraction and acceleration mechanism for electrons, alternative to traditional radio-frequency-based or laser-wake-field ones.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Calculation of symmetric and asymmetric vortex seperation on cones and tangent ogives based on discrete vortex models

An inviscid discrete vortex model, with newly derived expressions for the tangential velocity imposed at the separation points, is used to investigate the symmetric and asymmetric vortex separation on cones and tangent ogives. The circumferential locations of separation are taken from experimental data. Based on a slender body theory, the resulting simultaneous nonlinear algebraic equations in a cross-flow plane are solved with Broyden's modified Newton-Raphson method. Total force coefficients are obtained through momentum principle with new expressions for nonconical flow. It is shown through the method of function deflation that multiple solutions exist at large enough angles of attack, even with symmetric separation points. These additional solutions are asymmetric in vortex separation and produce side force coefficients which agree well with data for cones and tangent ogives.

Chin, S.↗

Molecular Simulations Probing the Adsorption and Diffusion of Ammonia, Nitrogen, Hydrogen, and Their Mixtures in Bulk MFI Zeolite and MFI Nanosheets at High Temperature and Pressure

Recent advances in the synthesis of MFI zeolite nanosheets have led to highly selective membranes that are promising candidates for small-scale ammonia separation from ammonia/nitrogen/hydrogen mixtures in distributed green ammonia production plants. Using force-field-based molecular simulations, we evaluate the performance of bulk all-silica MFI zeolite and a 3 nm thick all-silica MFI nanosheet for ammonia/nitrogen/hydrogen separations at moderate temperature and pressure conditions (T = 373 K, p = 5 bar) as well as conditions relevant for a membrane-based reactor–separator process (T = 523 or 623 K, p = 80 bar). Isobaric–isothermal Gibbs ensemble Monte Carlo (GEMC) simulations were carried out to understand the selective adsorption behavior for these mixtures. Molecular dynamics simulations in the canonical ensemble were performed to examine the transport behavior of ammonia in a mixture with nitrogen or hydrogen at loadings obtained from the GEMC simulations. Our results show that both bulk MFI and the nanosheet with explicit surface silanols are highly selective toward ammonia adsorption, but the adsorption selectivity decreases by factors of 4 and 10 for ammonia/nitrogen and ammonia/hydrogen mixtures as the temperature is increased from 373 to 623 K. Conversely, the diffusion selectivities toward ammonia are more favorable at process-relevant temperatures and for the MFI nanosheet. Here, at T = 523 K and p = 80 bar, our simulations predict overall separation factors of 3.8 ± 0.2 and 4.5 ± 0.3 for ammonia/nitrogen and ammonia/hydrogen mixtures, respectively, in the bulk MFI zeolite, and separation factors of 8.6 ± 0.4 and 12.5 ± 0.8, respectively, for the MFI nanosheet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mass predictions of atomic nuclei in the infinite nuclear matter model

We present here the mass excesses, binding energies, one- and two-neutron, one- and two-proton and {alpha}-particle separation energies of 6727 nuclei in the ranges 4{<=}Z{<=}120 and 8{<=}A{<=}303 calculated in the infinite nuclear matter model. Compared to our predictions of 1999 mass table, the present ones are obtained using larger data base of 2003 mass table of Wapstra and Audi and resorting to higher accuracy in the solutions of the {eta}-differential equations of the INM model. The local energy {eta}'s supposed to carry signature of the characteristic properties of nuclei are found to possess the predictive capability. In fact {eta}-systematics reveal new magic numbers in the drip-line regions giving rise to new islands of stability supported by relativistic mean field theoretic calculations. This is a manifestation of a new phenomenon where shell-effect overcomes the instability due to repulsive components of the nucleon-nucleon force broadening the stability peninsula. The two-neutron separation energy-systematics derived from the present mass predictions reveal a general new feature for the existence of islands of inversion in the exotic neutron-rich regions of nuclear landscape, apart from supporting the presently known islands around {sup 31}Na and {sup 62}Ti. The five global parameters representing the properties of infinite nuclear matter, the surface, the Coulomb and the pairing terms are retained as per our 1999 mass table. The root-mean-square deviation of the present mass-fit to 2198 known masses is 342 keV, while the mean deviation is 1.3 keV, reminiscent of no left-over systematic effects. This is a substantive improvement over our 1999 mass table having rms deviation of 401 keV and mean deviation of 9 keV for 1884 data nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Role of the Solvent–Surfactant Duality of Ionic Liquids in Directing Two-Dimensional Particle Assembly

Nanoparticle self-assembly plays a key role in formation of superlattices, which exhibit remarkable physical and chemical properties. However, controlling assembly remains a challenge partly due to a lack of understanding of the assembly dynamics and the difficulty in linking interfacial solution properties to interparticle forces. In this study, using liquid-cell transmission electron microscopy, self-assembly of gold nanoparticles (NPs) into superlattices in mixtures of water and ionic liquid (IL) was visualized, revealing a dual role of the IL in the assembly process. At intermediate concentrations, the IL acts as a surfactant stabilizing the particles at a well-defined equilibrium separation corresponding to the length of hydrogen bonded IL cations adsorbed onto neighboring NPs. Analysis of the interparticle forces reveals attractive long-range interactions of a van der Waals nature. At separations of 1-3 nm, interactions are dominated by attractive ion correlation and repulsive hydration forces giving rise to an energy minimum at 1.5 nm separation. The superlattice is further stabilized by hydrogen bonding, which shifts the equilibrium interparticle distance to 1.1 nm. In contrast, at higher concentrations, IL accumulates and forms a structured network in the gap between nanoparticles, where it acts as a solvent that eliminates the repulsive barrier and thus promotes particle coalescence. This solvent-surfactant duality of IL opens new opportunities for their use in directing particle assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Binary Oscillatory Crossflow Electrophoresis

We present preliminary results of our implementation of a novel electrophoresis separation technique: Binary Oscillatory Cross flow Electrophoresis (BOCE). The technique utilizes the interaction of two driving forces, an oscillatory electric field and an oscillatory shear flow, to create an active binary filter for the separation of charged species. Analytical and numerical studies have indicated that this technique is capable of separating proteins with electrophoretic mobilities differing by less than 10%. With an experimental device containing a separation chamber 20 cm long, 5 cm wide, and 1 mm thick, an order of magnitude increase in throughput over commercially available electrophoresis devices is theoretically possible.

Molloy, Richard F.↗

Modelling Greenland Outlet Glaciers

The objective of this project was to develop simple yet realistic models of Greenland outlet glaciers to better understand ongoing changes and to identify possible causes for these changes. Several approaches can be taken to evaluate the interaction between climate forcing and ice dynamics, and the consequent ice-sheet response, which may involve changes in flow style. To evaluate the icesheet response to mass-balance forcing, Van der Veen (Journal of Geophysical Research, in press) makes the assumption that this response can be considered a perturbation on the reference state and may be evaluated separately from how this reference state evolves over time. Mass-balance forcing has an immediate effect on the ice sheet. Initially, the rate of thickness change as compared to the reference state equals the perturbation in snowfall or ablation. If the forcing persists, the ice sheet responds dynamically, adjusting the rate at which ice is evacuated from the interior to the margins, to achieve a new equilibrium. For large ice sheets, this dynamic adjustment may last for thousands of years, with the magnitude of change decreasing steadily over time as a new equilibrium is approached. This response can be described using kinematic wave theory. This theory, modified to pertain to Greenland drainage basins, was used to evaluate possible ice-sheet responses to perturbations in surface mass balance. The reference state is defined based on measurements along the central flowline of Petermann Glacier in north-west Greenland, and perturbations on this state considered. The advantage of this approach is that the particulars of the dynamical flow regime need not be explicitly known but are incorporated through the parameterization of the reference ice flux or longitudinal velocity profile. The results of the kinematic wave model indicate that significant rates of thickness change can occur immediately after the prescribed change in surface mass balance but adjustments in flow rapidly diminish these rates to a few cm/yr at most. The time scale for adjustment is of the order of a thousand years or so.

vanderVeen, Cornelis↗

Characterizing the mean-field dynamo in turbulent accretion disks

The formation and evolution of a wide class of astrophysical objects are governed by turbulent, magnetized accretion disks. Understanding their secular dynamics is of primary importance. Apart from enabling mass accretion via the transport of angular momentum, the turbulence affects the long-term evolution of the embedded magnetic flux, which in turn regulates the efficiency of the transport. In this paper, we take a comprehensive next step toward an effective mean-field model for turbulent astrophysical disks by systematically studying the key properties of magnetorotational turbulence in vertically stratified, isothermal shearing boxes. This allows us to infer emergent properties of the ensuing chaotic flow as a function of the shear parameter, as well as the amount of net vertical flux. Using the test-field method, we furthermore characterize the mean-field dynamo coefficients that describe the long-term evolution of large-scale fields. We simultaneously infer the vertical shape and the spectral scale dependence of these closure coefficients, with the latter describing nonlocal contributions to the turbulent electromotive force. Based on this, we infer a scale-separation ratio of about 10 for the large-scale dynamo. We finally determine scaling properties of the mean-field dynamo coefficients. The relevant component of the dynamo α effect is found to scale linearly with the shear rate, as does the corresponding turbulent diffusion, η. Together, these scalings allow us to predict, in a quantitative manner, the cycle period of the well-known butterfly diagram. This lends new support to the importance of the αΩ mechanism in determining the evolution of large-scale magnetic fields in turbulent accretion disks.

79 ASTRONOMY AND ASTROPHYSICS↗

The Flotation Chemistry of Nonsulfide Minerals

Particulate separations are of considerable significance in many areas of technology ranging from pharmaceutics and microelectronics, to mining and construction materials industries. In addition, particulate separation technology is of critical importance in the environmental area, for example, the development of advanced water treatment processes for the 21st century will rely on more efficient particulate separation techniques. In this regard it is most appropriate that the Separations Program of the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, of DOE supports basic science research in the area of particulate separations. One such particulate separation process of special importance is froth flotation, a physico-chemical process that is used to separate particles in an aqueous suspension via differences in hydrophobicity as established by the interaction of various reagents at the solid/water, solid/gas and water/gas interfaces. Surfactants, called collectors, are added to a suspension to selectively adsorb at the surface of specific particles, rendering these particles hydrophobic. Regulators are employed to promote collector adsorption at the desired surfaces, while preventing such reactions at other surfaces. When air is dispersed into the suspension, the bubbles generated attach to the hydrophobic particles. The resulting bubble/particle aggregates float to the suspension surface and are collected in a froth phase as a concentrate. The remaining hydrophilic particles are retained in suspension and discharged as a tailings product. Clearly, particulate separation by froth flotation is an outstanding example of applied surface chemistry, and is used in the food, petroleum, pulp/paper, and mineral industries. The use of flotation technology is perhaps most significant in the mineral industry where, in the U. S. alone, over 500,000 tons/day of nonsulfide minerals are processed. The estimated value of all nonfuel mineral materials processed in the United States during 2015 totaled $630 billion. It is evident that particle separation by flotation is an important process that is used in many of the mineral industries. Understanding of the interfacial chemistry for the development of improved flotation separations is required for more effective production and utilization of our mineral resources, especially the critical minerals as identified in the 2017 USGS report, “Critical Mineral Resources of the United States – Economic and Environmental Geology and Prospects for Future Supply.” In this regard, a research program has been in progress with DOE support from Grant DE-FGO2-93ER14315 to study the fundamental interfacial chemistry features in nonsulfide mineral flotation systems in order to increase our understanding and provide for improved separation efficiencies and energy economy in the processing of our mineral resources. Significant contributions have been made to the flotation chemistry of flotation separations in many areas, including, salt minerals; collector adsorption; wetting, surface forces, bubble attachment; interfacial water structure; phyllosilicate minerals, and critical mineral resources such as rare earth minerals and lithium resources. The research results summarized herein have resulted in more than 225 publications, the education of 28 PhD graduate students, and impressive recognition with university, national, and international awards. For example, among many other awards, Distinguished Professor Jan Miller, PI, was elected to be a member of the National Academy of Engineering (1993) and the National Academy of Inventors (2014). In 2015 he received the University of Utah’s most prestigious award presented annually to a faculty member, the Rosenblatt Prize for Excellence. Research Professor Xuming Wang was selected by SME to be a Henry Krumb Lecturer (2013-2014), and many of the student researchers involved in the program received national awards from AIME, ICE, IPMI, SME, and TMS. It is evident that the flotation separation research program has been quite successful. Unfortunately, the flotation chemistry research for mineral particle separation has been terminated even though the renewal proposal received excellent reviews with recommended funding. The need for continued support of minerals separation research is of critical importance as recognized by 1) the recent 2017 USGS report, “Critical Mineral Resources of the United States – Economic and Environmental Geology and Prospects for Future Supply,” and by 2) the 20 December 2017 executive order from President Trump to increase the discovery, production, and domestic refining of critical minerals. In view of our research accomplishments, the excellent reviews of the renewal proposal, and the expressed need for attention to the production of critical minerals, termination of “The Flotation Chemistry of Nonsulfide Minerals” research program by DOE is not appropriate, and continued support should be reconsidered.

58 GEOSCIENCES↗

Development of Solar Grade Silicon (SoG-Si) Feedstock by Recycling SoG-Si Wastes

Experiment results of EM separation show that the non-metallic inclusions were successfully pushed to the boundary layer of the crucible under EM force. Larger frequency and smaller current generate smaller thickness of accumulated inclusions. More detailed EM separation experiments are undergoing to investigate the factors that affect the removal efficient of inclusions from SoG-Si.

42 ENGINEERING↗

Calculation of long range forces and their applications in determining gaseous properties

A discussion of various theoretical and experimental techniques for the calculation of long range interaction between two atomic systems at moderate separation is presented. Some applications of these techniques for obtaining gaseous properties are described. The forces between neutral molecules and metallic surfaces are also discussed and numerical values of heats of adsorption for a number of systems are calculated.

Singh, J. J.↗

Lyapunov exponent as a metric for assessing the dynamic content and predictability of large-eddy simulations

Metrics used to assess the quality of large-eddy simulations commonly rely on a statistical assessment of the solution. While these metrics are valuable, a dynamic measure is desirable to further characterize the ability of a numerical simulation for capturing dynamic processes inherent in turbulent flows. To address this issue, a dynamic metric based on the Lyapunov exponent is proposed which assesses the growth rate of the solution separation. Specifically, this metric is applied to two turbulent flow configurations: forced homogeneous isotropic turbulence and a turbulent jet diffusion flame. First, it is shown that, despite the direct numerical simulation (DNS) and large-eddy simulation (LES) being high-dimensional dynamical systems with O(107) degrees of freedom, the separation growth rate qualitatively behaves like a lower-dimensional dynamical system, in which the dimension of the Lyapunov system is substantially smaller than the discretized dynamical system. Second, a grid refinement analysis of each configuration demonstrates that as the LES filter width approaches the smallest scales of the system the Lyapunov exponent asymptotically approaches a plateau. Third, a small perturbation is superimposed onto the initial conditions of each configuration, and the Lyapunov exponent is used to estimate the time required for divergence, thereby providing a direct assessment of the predictability time of simulations. By comparing inert and reacting flows, it is shown that combustion increases the predictability of the turbulent simulation as a result of the dilatation and increased viscosity by heat release. The predictability time is found to scale with the integral time scale in both the reacting and inert jet flows. Fourth, an analysis of the local Lyapunov exponent is performed to demonstrate that this metric can also determine flow-dependent properties, such as regions that are sensitive to small perturbations or conditions of large turbulence within the flow field. Finally, it is demonstrated that the global Lyapunov exponent can be utilized as a metric to determine if the computational domain is large enough to adequately encompass the dynamic nature of the flow.

42 ENGINEERING↗

Shuttle booster separation aerodynamics

A wind tunnel test program of some complexity was used to define the aerodynamic forces exerted on the space shuttle solid rocket boosters and orbiter/external tank during staging. In these tests, problems associated with the use of up to three models in close proximity and with the need to simulate high pressure separation motor plumes were handled in a unique and effective manner. A new method was developed for efficiently organizing data which is a function of a large number of independent variables. Data derived from the test program drastically reduced previous estimates of aerodynamic uncertainties and allowed certification of the separation system at the design maximum staging dynamic pressure. Reduction of flight data has implicitly verified the staging aerodynamics data base and its associated uncertainties.

Mark K. Craig↗