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At least 541 records · Page 30

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Analysis of Laminar Convective Heat Transfer Over Structured Non-Wetting Surfaces

Structured non-wetting surfaces provide alternating no-slip and partial slip boundary conditions to the fluid flow which, in turn, affects the convective heat transfer performance over the surfaces. In this work, an analytical model is developed for the interfacial Nusselt number, the overall Nusselt number and a thermal hydraulic performance factor for fluid flow in a cylinder patterned with structured non-wetting surfaces, for the two cases of uniform wall heat flux and uniform wall temperature. In addition, by considering the stability of the Cassie state of wettability and its transition to the Wenzel state for flow over superhydrophobic surfaces, the present model overcomes certain limitations of the previously reported studies in the literature. Based on the analytical formulations and the stability constraints, the present paper provides optimum design maps for tailoring structured non-wetting surfaces for maximizing convective heat transfer and the combined thermal-hydraulic performance in applications. Use of the design maps on example cases is also discussed. It is shown that the use of structured non-wetting surfaces is most effective for low Reynolds numbers and/or small cylinder radius.

42 ENGINEERING↗

DOE OSTI2025

Non-Gaussian Generalized Two-Mode Squeezing: Applications to Two-Ensemble Spin Squeezing and Beyond

Bosonic two-mode squeezed states are paradigmatic entangled Gaussian states that have wide utility in quantum information and metrology. Here, in this study, we show that the basic structure of these states can be generalized to arbitrary bipartite quantum systems in a manner that allows simultaneous, Heisenberg-limited estimation of two independent parameters for finite-dimensional systems. Further, we show that these general states can always be stabilized by a relatively simple Markovian dissipative process. In the specific case where the two subsystems are ensembles of two-level atoms or spins, our generalized states define a notion of two-mode spin squeezing that is valid beyond the Gaussian limit and that enables true multiparameter estimation. We discuss how generalized Ramsey measurements allow one to reach the two-parameter quantum Cramér-Rao bound, and how the dissipative preparation scheme is compatible with current experiments.

Mamaev, Mikhail [Univ. of Chicago, IL (United Stat↗

NASA NTRS1985

Design of failure-accommodating multi-loop LQG regulators

This paper investigates the stability of multiloop LQ regulators when various combinations of actuator failures occur. It is proved that the closed-loop stability can be maintained under certain conditions by inserting appropriate constant gains in the control loops. The results are also applicable (via duality) to the design of state estimators which maintain stability in face of sensor failures.

Joshi, S. M.↗

NASA NTRS1991

Use of satellite data and modeling to assess the influence of stratospheric processes on the troposphere

Over the past forty years, numerous linear stability studies have been performed in order to explain the origin and structure of observed waves in the atmosphere. Of these studies, only a small fraction have considered the stability of time-dependent, zonally varying flow or the influence of radiative-photochemical feedbacks on the stability of zonally uniform flow. The stability of such flows is described, and these flows may yield important information concerning the origin, structure, and transient time scales of free waves in the atmosphere. During the period 1990 to 1991, a beta-plane model that couples radiative transfer, ozone advection, and ozone photochemistry with the quasigeostrophic dynamical circulation was developed in order to study the diabatic effects of Newtonian cooling and ozone-dynamics interaction on the linear stability of free planetary waves in the atmosphere. The stability of a basic state consisting of a westward-moving wave and a zonal mean jet was examined using a linearized, nondivergent barotropic model on sphere. The sensitivity of the stability of the flow to the strength and structure of the zonal jet was emphasized. The current research is focused on the following problems: (1) examination of the finite amplitude interactions among radiation, ozone, and dynamics; and (2) examination of the role of seasonal forcing in short-term climate variability. The plans for next year are presented.

Nathan, Terrence↗

DOE OSTI2022

The many-body electronic interactions of Fe(II)–porphyrin

Fe(II)–porphyrin complexes exhibit a diverse range of electronic interactions between the metal and macrocycle. Herein, the incremental full configuration interaction method is applied to the entire space of valence orbitals of a Fe(II)–porphyrin model using a modest basis set. A novel visualization framework is proposed to analyze individual many-body contributions to the correlation energy, providing detailed maps of this complex’s highly correlated electronic structure. Furthermore, this technique is used to parse the numerous interactions of two low-lying triplet states ( 3 A 2 g and 3 E g ) and to show that strong metal d–d and macrocycle π–π orbital interactions preferentially stabilize the 3 A 2 g state. d–π interactions, on the other hand, preferentially stabilize the 3 E g state and primarily appear when correlating six electrons at a time. Ultimately, the Fe(II)–porphyrin model’s full set of 88 valence electrons are correlated in 275 orbitals, showing the interactions up to the 4-body level, which covers the great majority of correlations in this system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1973

Analysis of inlet flow distortion and turbulence effects on compressor stability

The effect of steady state circumferential total pressure distortion on the loss in compressor stall pressure ratio has been established by analytical techniques. Full scale engine and compressor/fan component test data were used to provide direct evaluation of the analysis. Specifically, since a circumferential total pressure distortion in an inlet system will result in unsteady flow in the coordinate system of the rotor blades, analysis of this type distortion must be performed from an unsteady aerodynamic point of view. By application of the fundamental aerothermodynamic laws to the inlet/compressor system, parameters important in the design of such a system for compatible operation have been identified. A time constant, directly related to the compressor rotor chord, was found to be significant, indicating compressor sensitivity to circumferential distortion is directly dependent on the rotor chord.

Melick, H. C., Jr.↗

DOE OSTI2021

General Design Rules for Bimetallic Platinum(II) Complexes

A series of platinum(II) bimetallic complexes were studied to investigate the effects of ligands on both the geometric and electronic structure. Modulating the Pt-Pt distance through the bridging ligand architecture was found to dictate the nature of the lowest energy electronic transitions, localized in one-half of the molecule or delocalized across the entire molecule. By reducing the separation between the platinum atoms, the lowest energy electronic transitions will be dominated by the metal-metal-to-ligand charge transfer transition. Conversely, by increasing the distance between the platinum atoms, the lowest electronic transition will be largely localized metal-to-ligand charge transfer or ligand centered in nature. Additionally, the cyclometalating ligands were observed to have a noticeable stabilizing effect on the triplet excited states as the conjugation increased, arising from geometric reorientation and increased electron delocalization of the ligands. Furthermore, such stabilization of the triplet state energy has been shown to alter the excited state potential energy landscape as well as the excited state trajectory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1991

Solid-state lasers for coherent communication and remote sensing

Work in the stabilization of monolithic Nd:YAG lasers and the application of these lasers to nonlinear optical frequency conversion is discussed. The intrinsic stability of semiconductor diode laser pumped solid state lasers has facilitated a number of demonstration in external resonant cavity harmonic generation and stable optical parametric oscillation. Relative laser frequency stabilization of 0.3 Hz was achieved, and absolute stability of a few hundred hertz is anticipated. The challenge is now to reproduce this frequency stability in the output of tunable nonlinear optical devices. Theoretical and experimental work toward this goal are continuing.

Byer, Robert L.↗

DOE OSTI2022

Importance of interface open circuit potential on aqueous hydrogenolytic reduction of benzyl alcohol over Pd/C

Abstract The open circuit potential (OCP) established by the quasi-equilibrated electrode reaction of H 2 and H 3 O + (hydr.) , complicates catalytic reactions significantly. The hydrogenolysis rate of benzylic alcohol on Pd/C increases 2-3 orders of magnitude with the pH decreasing from 7 to 0.6. The reaction follows a pathway of protonated benzyl alcohol dehydration to a benzylic carbenium ion, followed by a hydride addition to form toluene. The dehydration of protonated benzyl alcohol is kinetic relevent, thus, being enhanced at lower pH. The OCP stabilizes all cationic species in the elementary steps. Particularly, the initial state (benzyl alcohol oxonium ion) is less stabilized than the dehydration transition state and the product (benzylic carbenium), thus, lowering the free energy barrier of the rate-determining step. In accordance, the rate increased with increasingly negative OCP. Beside OCP, an external negative electric potential in an electrocatlaytic system was also demonstrated to enhance the rate in the same way.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Efficient and robust phase-split computations in the internal energy, volume, and moles ( UVN ) space

Phase-split computations in an isolated system, which in general may be defined as one where the total internal energy (U), volume (V), and the number of moles (N = N 1 , N 2 ,..., N n ) of the components are fixed at some specified set of values, involves the determination of the temperature (T), pressure (P), plus the amount and composition of the various phases that constitute the system. A simpler, but analogous problem is one where T, P, and N are specified instead. In TPN space, one may first perform a stability analysis to determine whether the system is stable, meaning whether at equilibrium it will split up into multiple phases or remain in single phase. If the single-phase state is unstable, the stability analysis reliably provides a good set of initial guesses in the subsequent phase-split computations. In UVN space, however, we demonstrate that the stability analysis (which is the main subject of our earlier study [1]) may not in general provide good enough initial guesses; we offer alternative strategies for setting up good initial guesses. Furthermore, we show that a combination of successive substitution iteration (SSI) and Newton's method---two iterative methods that are prevalent in the literature in TPN space---facilitates a robust and efficient algorithm for phase-split computations in isolated systems. Finally, this combination has so far not been applied in UVN space.

02 PETROLEUM↗

NASA NTRS1985

Flow energizers. Task A

The effects of a propeller slipstream on the wing laminar boundary are being investigated. Hot-wire velocity sensor measurements have been performed in flight and in a wind tunnel. It is shown that the boundary layer cycles between a laminar state and a turbulent state at the propeller blade passage rate. The cyclic length of the turbulent state increases with decreasing laminar stability. Analyses of the time-varying velocity profiles show the turbulent state to lie in a transition region between fully laminar and fully turbulent. The observed cyclic boundary layer has characteristics similar to relaminarizing flow and laminar flow with external turbulence.

Ward, D.↗

NASA NTRS1993

Hybrid propulsion based on fluid-controlled solid gas generators

The use of fuel-rich solid (gas generator-type) propellants for hybrid propulsion affords some design and utilization efficiency advantages. Both forward and aft liquid injection control concepts are evaluated from the operational standpoints of ballistics, throttling, stability and extinguishment. Steady-state and non-steady ballistics analyses are employed for this evaluation. Stability of solid motor operation is enhanced by fluid injection with adequate injector pressure drop. Efficient throttling and reliable extinguishment are attained through a combination of solid propellant combustion tailoring, grain design, control valves and sensors. Initial results from a laboratory-scale slab combustor, combining a gas generator propellant with gaseous oxygen injection, are also presented.

Cohen, Norman S.↗

DOE OSTI2025

Structural switching dynamically controls the doubly pseudoknotted Rous sarcoma virus–programmed ribosomal frameshifting element

A hallmark of retrovirus replication is the translation of two different polyproteins from one RNA through programmed –1 frameshifting. This is a mechanism in which the actively translating ribosome is induced to slip in the 5′ direction at a defined codon and then continues translating in the new reading frame. Programmed frameshifting controls the stoichiometry of viral proteins and is therefore under stringent evolutionary selection. Forty years ago, the first frameshifting stimulatory element was discovered in the Rous sarcoma virus. The ~120 nt RNA segment was predicted to contain a pseudoknot, but its 3D structure has remained elusive. Now, we have determined cryoEM and X-ray crystallographic structures of this classic retroviral element, finding that it adopts a butterfly-like double-pseudoknot fold. One “wing” contains a dynamic pyrimidine-rich helix, observed crystallographically in two conformations and in a third conformation via cryoEM. The other wing encompasses the predicted pseudoknot, which interacts with a second unexpected pseudoknot through a toggle residue, A2546. This key purine switches conformations between structural states and tunes the stability of interacting residues in the two wings. We find that its mutation can modulate frameshifting by as much as 50-fold, likely by altering the relative abundance of different structural states in the conformational ensemble of the RNA. Taken together, our structure–function analyses reveal how a dynamic double pseudoknot junction stimulates frameshifting by taking advantage of conformational heterogeneity, supporting a multistate model in which high Shannon entropy enhances frameshifting efficiency.

Science & Technology - Other Topics↗

DOE OSTI2024

Two-Dimensional Moiré Polaronic Electron Crystals

Two-dimensional moiré materials have emerged as the most versatile platform for realizing quantum phases of electrons. Here, we explore the stability origins of correlated states in WSe 2 /WS 2 moiré superlattices. We find that ultrafast electronic excitation leads to partial melting of the Mott states on timescales 5 times longer than predictions from the charge hopping integrals and that the melting rates are thermally activated, with activation energies of 1⁢8±3 and 1⁢3±2 meV for the one- and two-hole Mott states, respectively, suggesting significant electron-phonon coupling. A density functional theory calculation of the one-hole Mott state confirms polaron formation and yields a hole-polaron binding energy of 16 meV. These findings reveal a close interplay of electron-electron and electron-phonon interactions in stabilizing the polaronic Mott insulators at transition metal dichalcogenide moiré interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1981

Effects of wingtip modifications on handling qualities of agricultural aircraft

The effect of wingtip modifications on the stability and control characteristics of an agricultural airplane has been studied by means of a nonplanar quasi-vortex-lattice method. The method is used to compute the changes in steady state and perturbed state lateral-directional stability and control derivatives produced by wingtip mounted winglets, vortex diffuser vanes, and tip extensions. The study shows that the combination of the excessive positive dihedral effect produced by the winglets and adverse yaw due to aileron deflection can have a detrimental effect on the roll control characteristics of the airplane. Introduction of an aileron-rudder-interconnect, and reduction of the effective dihedral by canting-in of the winglets, or addition of a lower winglet can eliminate the roll control problems.

Van Dam, C. P.↗

NASA NTRS1993

Robust controllers for the Middeck Active Control Experiment using Popov controller synthesis

Recent work in robust control with real parameter uncertainties has focused on absolute stability and its connections to real mu theory. In particular, the research has investigated the Popov stability criterion and its associated Lur'e-Postnikov Liapunov functions. State space representations of this Popov stability analysis tests are included in an H2 design formulation to provide a powerful technique for robust controller synthesis. This synthesis approach uses a state space optimization procedure to design controllers that minimize an overbound of an H2 cost functional and satisfy stability analysis tests based on the Popov multiplier. The controller and stability multiplier coefficients are optimized simultaneously, which avoids the iteration and curve-fitting procedures required by the D-K algorithm of mu synthesis. While previous work has demonstrated this synthesis approach on benchmark control problems, the purpose of this paper is to use Popov controller synthesis to design robust compensators for the Middeck Active Control Experiment (MACE).

How, Jonathan P.↗

DOE OSTI2022

Progress and Prospects of Inorganic Solid-State Electrolyte-Based All-Solid-State Pouch Cells

Here, all-solid-state batteries have piqued global research interest because of their unprecedented safety and high energy density. Significant advances have been made in achieving high room-temperature ionic conductivity and good air stability of solid-state electrolytes (SSEs), mitigating the challenges at the electrode–electrolyte interface, and developing feasible manufacturing processes. Along with the advances in fundamental study, all-solid-state pouch cells using inorganic SSEs have been widely demonstrated, revealing their immense potential for industrialization. This review provides an overview of inorganic all-solid-state pouch cells, focusing on ultrathin SSE membranes, sheet-type thick solid-state electrodes, and bipolar stacking. Moreover, several critical parameters directly influencing the energy density of all-solid-state Li-ion and lithium–sulfur pouch cells are outlined. Finally, perspectives on all-solid-state pouch cells are provided and specific metrics to meet certain energy density targets are specified. This review looks to facilitate the development of inorganic all-solid-state pouch cells with high energy density and excellent safety.

25 ENERGY STORAGE↗

DOE OSTI2025

Tuning the Lifetimes of Photoinduced Deligation in a Metal–Organic Framework via Linker Functionalization

Recently photoinduced dynamic ligation in a metal–organic frameworks (MOFs) was reported, where a long-lived charge-transfer excited state (ca. 30 μs) featuring partial dissociation between the carboxylate linker and metal-based node was probed by time-resolved infrared (TRIR) spectroscopy. The study offers a new mechanistic perspective to evaluate the potential contribution from the excited state molecular configuration to the performance of MOF photocatalysts. In this work, by employing MIL-101(Fe) as the study platform, we have further explored the influence of intramolecular interactions on the stability of relevant excited states and demonstrated the effective tuning of their lifetimes through the incorporation of different functional groups into the system. The correlations between the varied excited state lifetimes and coordination configurations with specific functional groups (−NH 2 or −NO 2 ) was inferred from the analyses of infrared spectroscopic data and theoretical calculations, revealing the essential role of the intramolecular interactions (i.e., between the added functional groups and the carboxylate group) in the modulation of system energetics. Overall, the work presents a pathway to tune the excited state dynamics and expands the knowledge regarding the photoinduced dynamic ligation in carboxylate-based MOFs.

excited states↗