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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 163 records · Page 9

Design of Graphene/Ionic Liquid Composites for Carbon Capture

Pore size is a crucial factor impacting gas separation in porous separation materials, but how to control the pore size to optimize the separation performance remains a challenge. Here, we propose a design of graphene/ionic liquid composites with tunable slit pore sizes, where cations and anions of ionic liquids are intercalated between graphene layers. By varying the sizes of the ions, we show from first-principles density functional theory calculations that the accessible pore size can be tuned from 3.4 to 6.0 Å. Grand canonical Monte Carlo simulations of gas sorption find that the composite materials possess high CO 2 uptake at room temperature and 1 bar (up to ~8.5 mmol/g). Further simulations of the sorption of gas mixtures reveal that high CO 2 /N 2 and CO 2 /CH 4 adsorption selectivities can be obtained when the accessible pore size is <5 Å. This work suggests a new strategy to achieve tunable pore sizes via the graphene/IL composites for highly selective CO 2 /N 2 and CO 2 /CH 4 adsorption.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Pinning ångström-size solid ionic channels for rare-earth element separation

High-purity rare-earth elements are essential for modern technologies, yet current solvent extraction processes are energy-intensive and environmentally harmful because of inadequate selectivity and ligand toxicity. Although combining size exclusion and binding affinity can improve lanthanide separation, the role of long-range confinement remains underexplored. Here we report lanthanide separation in aqueous systems using extremely confined manganese oxide solid ionic channels with optimized layer spacing. Different lanthanides induce distinct solid-state phase transformations in manganese oxide, creating a strong driving force for separation. Two lanthanide groups, differing by ~1.4 Å in spacing, were identified and confirmed to be stable by density functional theory. The narrower confinement of heavier Group II lanthanides improves cross-group separation by increasing the dehydration barrier for lighter Group I lanthanides without inducing strong binding. Here, we further developed a strategy to pin the confinement dimensions and enhance same-group separation, increasing enrichment factors for La–Nd and La–Pr pairs from 1.6 ± 0.1 and 1.5 ± 0.1 to 5.4 ± 0.1 and 4.2 ± 0.1, respectively.

Chemical engineering↗

Detailed analysis of excited-state systematics in a lattice QCD calculation of 𝑔 𝐴

Excited state contamination remains one of the most challenging sources of systematic uncertainty to control in lattice QCD calculations of nucleon matrix elements and form factors: early time separations are contaminated by excited states and late times suffer from an exponentially bad signal-to-noise problem. High-statistics calculations at large time separations ≳ 1 fm are commonly used to combat these issues. In this work, focusing on g A , we explore the alternative strategy of utilizing a large number of relatively low-statistics calculations at short to medium time separations (0.2–1 fm), combined with a multistate analysis. On an ensemble with a pion mass of approximately 310 MeV and a lattice spacing of approximately 0.09 fm, we find this provides a more robust and economical method of quantifying and controlling the excited state systematic uncertainty. A quantitative separation of various types of excited states enables the identification of the transition matrix elements as the dominant contamination. The excited state contamination of the Feynman-Hellmann correlation function is found to reduce to the 1% level at approximately 1 fm while, for the more standard three-point functions, this does not occur until after 2 fm. Critical to our findings is the use of a global minimization, rather than fixing the spectrum from the two-point functions and using them as input to the three-point analysis. We find that the ground state parameters determined in such a global analysis are stable against variations in the excited state model, the number of excited states, and the truncation of early-time or late-time numerical data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Relativistic spin dynamics for vector mesons

We propose a relativistic theory for spin density matrices of vector mesons based on Kadanoff-Baym equations in the closed-time-path formalism. The theory puts the calculation of spin observables such as the spin density matrix element ρ 00 for vector mesons on a solid ground. Within the theory we formulate ρ 00 for ϕ mesons into a factorization form in separation of momentum and spacetime variables. We argue that the main contribution to ρ 00 at lower energies should be from the ϕ fields that can polarize the strange quark and antiquark in the same way as electromagnetic fields. The key observation is that there is correlation inside the ϕ meson wave function between the ϕ field that polarizes the strange quark and that polarizes the strange antiquark. This is reflected by the fact that the contributions to ρ 00 are all in squares of fields that are nonvanishing even if the fields may strongly fluctuate in spacetime. The fluctuation of strong force fields can be extracted from ρ 00 of unflavored vector mesons as links to fundamental properties of quantum chromodynamics. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Calibration of a soft secondary vertex tagger using proton-proton collisions at s = 13 TeV with the ATLAS detector

Several processes studied by the ATLAS experiment at the Large Hadron Collider produce low-momentum b-flavored hadrons in the final state. This paper describes the calibration of a dedicated tagging algorithm that identifies b-flavored hadrons outside of hadronic jets by reconstructing the soft secondary vertices originating from their decays. The calibration is based on a proton-proton collision dataset at a center-of-mass energy of 13 TeV corresponding to an integrated luminosity of 140 fb -1 . Scale factors used to correct the algorithm’s performance in simulated events are extracted for the b-tagging efficiency and the mistag rate of the algorithm using a data sample enriched in $t\overline{t}$ events. Several orthogonal measurement regions are defined, binned as a function of the multiplicities of soft secondary vertices and jets containing a b-flavored hadron in the event. The mistag rate scale factors are estimated separately for events with low and high average numbers of interactions per bunch crossing. The results, which are derived from events with low missing transverse momentum, are successfully validated in a phase space characterized by high missing transverse momentum and therefore are applicable to new physics searches carried out in either phase space regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Direct recovery of interfacial topography from coherent X-ray reflectivity: model calculations for a 1D interface

The use of coherent X-ray reflectivity to recover interfacial topography is described using model calculations for a one-dimensional interface. The results reveal that the illuminated topography can be recovered directly from the measured reflected intensities. This is achieved through an analysis of the Patterson function, the Fourier transform of the scattering intensity (as a function of lateral momentum transfer, Q // , at fixed vertical momentum transfer, Q z ). Specifically, a second-order Patterson function is defined that reveals the discrete set of separations and contrast factors (i.e., the product of changes in the effective scattering factor) associated with discontinuities in the effective interfacial topography. Finally, it is shown that the topography is significantly over-determined by the measurements, and an algorithm is described that recovers the actual topography through a deterministic sorting of this information.

36 MATERIALS SCIENCE↗

Characterizing Minimum Admissible Separation Distances in Heavy Duty Vehicle Platoons

Heavy duty (HD) vehicles platooning under highway operating conditions, have been projected to provide significant fuel economy (FE) gains based on aerodynamic drag reduction of the platooning vehicles. Realizing these benefits under real-world operating conditions have several challenges. This paper (the second as part of series) quantifies the minimum admissible separation distance between platooning vehicles in HD commercial vehicle (CV) applications. This distance must be set up such that no collision occurs with leading vehicles under all deceleration conditions. In this paper key interactions to characterize this distance are demonstrated. These include, road surface conditions, grade, inter-vehicle communication delays, air-brake lag time, vehicle speed, weight, and aerodynamic drag. It is seen that characterizing the vehicle and road dynamics will be critical in establishing required deceleration or stopping distances for each vehicle in a platoon. The results of the study also necessitate vehicle control systems that can dynamically adjust not only the separation distances but also the braking reference points based on road conditions. The narrative provides application decision personnel with a well-defined set of admissible separation distance impact factors to consider as part of their architecture selection process.

Sujan, Vivek↗

Transverse shear effects on the stress-intensity factor for a circumferentially cracked, specially orthotropic cylindrical shell

The problem of a cylindrical shell containing a circumferential through crack is considered by taking into account the effect of transverse shear deformations. The formulation is given for a specially orthotropic material within the confines of a linearized shallow shell theory. The particular theory used permits the consideration of all five boundary conditions regarding moment and stress resultants on the crack surface. Consequently, aside from multiplicative constants representing the stress intensity factors, the membrane and bending components of the asymptotic stress fields near the crack tip are found to be identical. The stress intensity factors are calculated separately for a cylinder under a uniform membrane load, and that under a uniform bending moment. Sample results showing the nature of the out-of-plane crack surface displacement and the effect of the Poisson's ratio are presented.

Delale, F.↗

The Scaling of Coronal Models from One Star to Another

The requirements that must be met in order that stationary numerical corona models can be scaled from one star to another are discussed. A corona model is a solution of the conservation equations for mass, momentum, and energy, subject to appropriate boundary conditions, and of the equation of state. In general, the mass M and radius R of the star enter these equations and boundary conditions as free parameters. A given solution can be scaled to other stars only if all equations can be rewritten in such a form that M and R do no longer appear explicitly as free parameters, but only implicitly as scaling factors of the variables. An adequate means to find these scaling factors is a homologous transformation: one multiplies all variables and parameters by separate constants (i.e., scaling factors) and requires that the equations and boundary conditions remain valid. This leads to a set of nonlinear relations between the transformation constants. Only if in this set the two constants associated with M and R can be chosen independently, can a given numerical corona model be scaled to arbitrary stars.

Hammer, R.↗

Rationale for two phase polymer system microgravity separation experiments

The two-phase systems that result when aqueous solutions of dextran and poly(ethylene glycol) are mixed at concentrations above a few percent are discussed. They provide useful media for the partition and isolation of macromolecules and cell subpopulations. By manipulating their composition, separations based on a variety of molecular and surface properties are achieved, including membrane hydrophobic properties, cell surface charge, and membrane antigenicity. Work on the mechanism of cell partition shows there is a randomizing, nonthermal energy present which reduces separation resolution. This stochastic energy is probably associated with hydrodynamic interactions present during separation. Because such factors should be markedly reduced in microgravity, a series of shuttle experiments to indicate approaches to increasing the resolution of the procedure are planned.

Brooks, D. E.↗

Investigation of porous polymer gas chromatographic packings for atmospheric analysis of extraterrestrial bodies

Measurement of the permanent gases in the atmospheres of mission targets is a major objective. A 16 meter long Porapak N column was used on the Venus probe and required a rather high carrier gas flow rate. The researchers have, therefore, surveyed commercial porous polymer types which had some ability to resolve nitrogen, oxygen, argon and carbon monoxide gases. Porapaks N and Q appeared superior to most. Batch to batch variation, however, was quite wide, so the researchers learned how to synthesize porous polymer and investigated some of the factors affecting the separations. A polymer was synthesized which was superior to all commercial products and allowed at least a 50% reduction in length and flow rate of carrier gas. Similar studies were made concerning the separation of hydrocarbons and new porous polymers have been synthesized which represent significant improvements in time of analysis, column, and carrier gas flow rate.

Pollock, G. E.↗

"Do That Again": Evaluating Spoken Dialogue Interfaces

We present a new technique for evaluating spoken dialogue interfaces that allows us to separate the dialogue behavior from the rest of the speech system. By using a dialogue simulator that we have developed, we can gather usability data on the system s dialogue interaction and behaviors that can guide improvements to the speech interface. Preliminary testing has shown promising results, suggesting that it is possible to test properties of dialogue separately from other factors such as recognition quality.

James, Frankie↗

Dissociation of muscle sympathetic nerve activity and leg vascular resistance in humans

We examined the hypothesis that the increase in inactive leg vascular resistance during forearm metaboreflex activation is dissociated from muscle sympathetic nerve activity (MSNA). MSNA (microneurography), femoral artery mean blood velocity (FAMBV, Doppler), mean arterial pressure (MAP), and heart rate (HR) were assessed during fatiguing static handgrip exercise (SHG, 2 min) followed by posthandgrip ischemia (PHI, 2 min). Whereas both MAP and MSNA increase during SHG, the transition from SHG to PHI is characterized by a transient reduction in MAP but sustained elevation in MSNA, facilitating separation of these factors in vivo. Femoral artery vascular resistance (FAVR) was calculated (MAP/MBV). MSNA increased by 59 +/- 20% above baseline during SHG (P < 0.05) and was 58 +/- 18 and 78 +/- 18% above baseline at 10 and 20 s of PHI, respectively (P < 0.05 vs. baseline). Compared with baseline, FAVR increased 51 +/- 22% during SHG (P < 0.0001) but returned to baseline levels during the first 30 s of PHI, reflecting the changes in MAP (P < 0.005) and not MSNA. It was concluded that control of leg muscle vascular resistance is sensitive to changes in arterial pressure and can be dissociated from sympathetic factors.

Non-NASA Center↗

Wake Vortex Research in the USA (WakeNet-USA)

This viewgraph presentation reviews the cooperative work that FAA and NASA are engaged in to safely increase the capacity of the National Airspace System by studying the wake vortex operations. Wake vortex avoidance is a limiting factor in defining separation standards in the airport terminal area and could become a reducing separation standards in en route airspace.

Lang, Steve↗

Payload Fairing Acoustic Trade Study: Fill Effect Modeling

A review of acoustic fill effect was conducted using vibroacoustic models of the NASA Space Launch System Block 1B 8.4-meter Payload Fairing. Fill effect is the term used to describe how sound pressure levels (SPLs) inside of a launch vehicle’s payload cavity change when a payload is present, compared to that of an unfilled cavity. Several vibroacoustic models with various payload shapes were developed and the deviation in output from an unfilled cavity model were compared to an analytical fill effect calculation. The analytical expression for the fill effect correction factor, known as the fill factor, is published in NASA-STD-7001B. The development and validation of the NASA fill factor is discussed to provide context for this study and define important variables including the volume fill percentage and the fairing-payload separation gap. The fill factor is reviewed from two perspectives; a global perspective which defines the volume ratio with respect to the entire fairing cavity, and a local perspective which defines the volume ratio with respect to a zone of interest dependent on the payload’s height. The global perspective was considered because it allows a decoupling of the volume ratio and fairing-payload separation gap variables. Both the global and local fill factor methods have difficulty capturing low frequency SPL because of a breakdown in the underlying assumptions of a diffuse acoustic field. Spatial variation in the pressure field at low frequency showed that axially oriented standing waves may be of concern for sensitive payload components; radial variation in SPL was found to be less significant. Further, a novel secondary derivation of the theoretical fill factor is posed for future work in which the absorption characteristics of the payload and fairing surfaces are considered. This work is supported by the NASA Glenn Research Center and the Space Launch System Payload Fairing Working Group.

Spacecraft environments↗

Separation at Crossing Waypoints Under Wind Uncertainty in Urban Air Mobility

To enable high-density operations in major metropolitan areas, urban air mobility networks are anticipated to have air traffic management with higher levels of autonomy. To ensure that this type of autonomy is feasible, one of the critical steps from a safety and efficiency perspective is understanding various factors that affect the spatial separation between airborne flights and ensure that these factors can be managed. In terms of separation assurance and scheduling, an important real-world concern is that future states of aircraft cannot be perfectly predicted. The focus of this research paper is to understand how these prediction errors affect separation and scheduling services and to explore mitigation strategies to handle these errors. In this research, we have simulated these types of uncertainty by adding wind-prediction errors to trajectory predictions for separation. With these wind-prediction errors, we decompose the problem into two separate questions. First, using both simulation and analytical methods, we look at conflict-detection-only scenarios to understand how the wind errors affect required minimum temporal separation between crossing flights to ensure a specific spatial separation. Next, we study how trajectory errors effect conflict resolution, and we explore different combinations of scheduling and separation assurance to mitigate the effects of uncertainty between crossing flights. The conflict resolution algorithm aims to minimize necessary temporal separation between crossing flights under uncertainty, still ensuring safety-critical spatial separation. In summary, this research suggests that the required minimum temporal separation at a crossing waypoint is dependent on factors such as inbound crossing angle, the relative angle between wind direction and bearing of each route, wind magnitude, wind magnitude uncertainty, nominal cruise airspeed of aircraft, and look-ahead time of the conflict detection algorithm. This research also suggests that different combinations of scheduling and separation have different qualitative results. Using a combination of strategic, flow-based scheduling, tactical scheduling at crossings, speed control near crossing points, and separation management leads to a system that is insensitive to trajectory prediction errors with high throughput and flexibility for aircraft away from shared resources.

urban air mobility↗

Separation at Crossing Waypoints Under Wind Uncertainty in Urban Air Mobility

To enable high-density operations in major metropolitan areas, urban air mobility networks are anticipated to have air traffic management with higher levels of autonomy. To ensure that this type of autonomy is feasible, one of the critical steps from a safety and efficiency perspective is understanding various factors that affect the spatial separation between airborne flights and ensure that these factors can be managed. In terms of separation assurance and scheduling, an important real-world concern is that future states of aircraft cannot be perfectly predicted. The focus of this research paper is to understand how these prediction errors affect separation and scheduling services and to explore mitigation strategies to handle these errors. In this research, we have simulated these types of uncertainty by adding wind-prediction errors to trajectory predictions for separation. With these wind-prediction errors, we decompose the problem into two separate questions. First, using both simulation and analytical methods, we look at conflict-detection-only scenarios to understand how the wind errors affect required minimum temporal separation between crossing flights to ensure a specific spatial separation. Next, we study how trajectory errors effect conflict resolution, and we explore different combinations of scheduling and separation assurance to mitigate the effects of uncertainty between crossing flights. The conflict resolution algorithm aims to minimize necessary temporal separation between crossing flights under uncertainty, still ensuring safety-critical spatial separation. In summary, this research suggests that the required minimum temporal separation at a crossing waypoint is dependent on factors such as inbound crossing angle, the relative angle between wind direction and bearing of each route, wind magnitude, wind magnitude uncertainty, nominal cruise airspeed of aircraft, and look-ahead time of the conflict detection algorithm. This research also suggests that different combinations of scheduling and separation have different qualitative results. Using a combination of strategic, flow-based scheduling, tactical scheduling at crossings, speed control near crossing points, and separation management leads to a system that is insensitive to trajectory prediction errors with high throughput and flexibility for aircraft away from shared resources.

urban air mobility↗

Nanometer-Scale Correlations in Aqueous Salt Solutions

The intermediate-range (1–4 nm) correlation of cations, an- ions, and water in aqueous alkaline earth salt solutions is measured using synchrotron X-ray diffraction. We differentiate from the entire solution structure factor, S(Q), a separate region at low Q (<1 °A-1) containing local diffraction maxima (pre-peaks) that indicate nanometer-scale oscillatory behavior. These features are quantitatively reproduced with classical molecular dynamics simulations. At high concentrations, the pre-peaks emerge from correlations arising from existence of small quasi close-packed lattice- like structures comprised of cation hydration spheres. We also analyze the concentration dependence of the pre-peak and discuss the overall results in light of the rich literature dealing with intermediate-range correlations underlying universal phenomena in concentrated electrolytes. The authors were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the U.S. Department of Energy under Contract No. DE-AC05-76RL01830. Computing resources were generously allocated by PNNL's Institutional Computing program. DOE Contract No. DEAC02- 06CH11357 supports operation of the Advanced Photon Source at Argonne National Laboratory.

Chemical physics, nucleation, Madelung potential↗