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At least 163 records · Page 9

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NASA NTRS1989

Electromagnetic interactions of cosmic rays with nuclei

Parameterizations of single nucleon emission from the electromagnetic interactions of cosmic rays with nuclei are presented. These parameterizations are based upon the most accurate theoretical calculations available today. When coupled with Strong interaction parameterizations, they should be very suitable for use in cosmic ray propagation through intersteller space, the Earth's atmosphere, lunar samples, meteorites and spacecraft walls.

Norbury, John W.↗

NASA NTRS1973

Interaction of gases with lunar materials - Apollo 12, 14, and 16 samples

Surface properties of lunar fines samples from the Apollo 12, 14, and 16 missions have been investigated by studying the adsorption of nitrogen, argon, oxygen, carbon monoxide (all at 77 K), and water vapor (at 20 or 22 C) on the samples. Initially the samples were all nonporous and had a uniformly low specific surface area (0.3 to 0.6 sq m/g). Water interacts strongly with the surface of lunar fines, chemisorbing at low pressures followed by a massive adsorption at high pressures. Nitrogen adsorption measurements after the interaction with water showed that the surface properties had undergone a severe alteration as a result of the attack by water vapor. This alteration consisted of a marked increase in the specific surface area and the creation of a pore system. The results are interpreted on the basis of a penetration of water into the damage tracks.

Holmes, H. F.↗

NASA NTRS1986

The calculation of supersonic viscous flows using the parabolized Navier-Stokes equations

Solution of the parabolic Navier-Stokes (PNS) equations for supersonic flows is discussed, and compatibility of the PNS method with the triple-deck theory of Stewartson (1974) is demonstrated. Characteristic and stability analyses show that use of an appropriate filter on the pressure term in the x-momentum equation can suppress the departure solutions, giving the usual desired weak interaction solution. An Alternating Direction Explicit procedure, with minimal computer storage requirements compared to the full Navier-Stokes solvers, is proposed to calculate strongly interacting flows using a global iteration procedure for the PNS equations. The PNS equations are used to solve the hypersonic viscous interaction problem, and good agreement is found with experimental results.

Davis, R. T.↗

NASA NTRS1987

Numerical simulations of unsteady airfoil-vortex interactions

Numerical methods based on the thin layer Navier-Stokes, Euler and transonic small disturbance equations, all three of which use the perturbation form of an implicit numerical algorithm, are used to formulate the unsteady interactions of a moving vortex with a stationary airfoil. Results are presented for both transonic and subsonic flows, as well as for weak and strong interactions. In general, the results exhibit an overwhelming influence of the vortex on the flow field around the airfoil, especially when the convecting vortex is within one chord of the airfoil. It is noted that even the ostensibly weak interactions produced vortex/shock-induced boundary layer separation.

Srinivasan, G. R.↗

NASA NTRS1992

Stopping powers and cross sections due to two-photon processes in relativistic nucleus-nucleus collision

The radiation dose received from high energy galactic cosmic rays (GCR) is a limiting factor in the design of long duration space flights and the building of lunar and martian habitats. It is of vital importance to have an accurate understanding of the interactions of GCR in order to assess the radiation environment that the astronauts will be exposed to. Although previous studies have concentrated on the strong interaction process in GCR, there are also very large effects due to electromagnetic (EM) interactions. In this report we describe our first efforts at understanding these EM production processes due to two-photon collisions. More specifically, we shall consider particle production processes in relativistic heavy ion collisions (RHICs) through two-photon exchange.

Cheung, Wang K.↗

DOE OSTI2025

Impact of Ligands on the Ion–Ion Selectivity of Ligand-Appended-Pillar[ n ]arene Channels

Ligand-appended pillar[5]arene (LAP) channels are emerging as a promising platform for ion-selective membranes. In this study, we investigated the ion selectivities of three LAP channels functionalized with distinct ligands: diglycolamine, carbamoylmethyl phosphine oxide, and propionamide phosphonic acid. These ligands were chosen based on their demonstrated affinities for lanthanides in solvent extraction studies. We examined the selectivity of each channel toward a series of monovalent, divalent, and trivalent ions: Li + , Na + , K + , Mg 2+ , Ca 2+ , La 3+ , Eu 3+ , and Yb 3+ . To quantify ion-channel interactions and the energetics of translocation, we computed the potential of mean force (PMF) profiles for each ion. These PMFs were subsequently recast into permeability coefficients, enabling a direct evaluation of ion permselectivity. Our results reveal distinct selectivity patterns governed by the chemical nature of the appended ligands. The diglycolamine-functionalized channel exhibits strong interactions with monovalent ions, leading to replication of the Li + bulk hydration shell within the channel. This promotes preferential transport Li + ions while effectively excluding divalent and trivalent species. In contrast, the carbamoylmethyl phosphine oxide-functionalized channel displays a reduced selectivity between monovalent ions while similarly exhibiting an effective rejection of divalent and trivalent ions. This arises from steric hindrance around channel-lining oxygens imposed by the ligand's bulky phenyl groups which limits heavy ion coordination and promotes retention of hydration shells effectively increasing effective ion size. The propionamide phosphonic acid-functionalized channel exhibits a different trend, favoring ions with lower hydration free energies, with K + ions showing enhanced permeation. These findings highlight the critical role of ligand-ion interactions in modulating ion selectivity within LAP channels. In particular, the strong coordination exhibited by diglycolamine and propionamide phosphonic acid ligands significantly influences the ion transport energetics and selectivity profiles.

hydration↗

DOE OSTI2025

Dilute Paramagnetism and Non-Trivial Topology in Quasicrystal Approximant Fe4Al13

A very fundamental property of both weakly and strongly interacting materials is the nature of their magnetic response. In this work, we detail the growth of crystals of the quasicrystal approximant Fe4Al13 with an Al flux solvent method. We characterize our samples using electrical transport and heat capacity, yielding results consistent with a simple non-magnetic metal. However, magnetization measurements portray an extremely unusual response for a dilute paramagnet and do not exhibit the characteristic Curie behavior expected for a weakly interacting material at high temperature. Electronic structure calculations confirm metallic behavior but also indicate that each isolated band near the Fermi energy hosts non-trivial topologies, including strong, weak, and nodal components, with resultant topological surface states distinguishable from bulk states on the (001) surface. With half-filled flat bands apparent in the calculation, but an absence of long-range magnetic order, the unusual quasi-paramagnetic response suggests the dilute paramagnetic behavior in this quasicrystal approximant is surprising and may serve as a test of the fundamental assumptions that are taken for granted for the magnetic response of weakly interacting systems.

Avers, Keenan E. (ORCID:0000000223441939)↗

NASA NTRS1996

Lack of Evidence for Prenucleation Aggregate Formation in Lysozyme Crystal Growth Solutions

There have been numerous claims of large concentrations of prenucleation aggregates in supersaturated as well as undersaturated lysozyme solutions at high salt concentrations. The presence of these aggregates was derived from measurements of the light or neutron scattering intensity, ultracentrifugation and dialysis behavior, as well as over-simplified crystal growth kinetics considerations. In all these interpretations it has been assumed that lysozyme solutions are either ideal or that protein interactions are independent of salt concentration. Contrary to these presumptions, our static and dynamic light scattering experiments provide evidence that lysozyme forms highly non-ideal, strongly interacting solutions. At low salt concentrations, the scattering intensities fall well below the values expected for an ideal, monomeric solution at the same protein concentration, while diffusivities increase with increasing protein concentration. Upon increase in salt concentration, these trends are eventually reversed. This enhancement in scattering intensity and decrease in diffusivity was widely interpreted as sign of aggregate formation. Yet, a quantitative interpretation of the scattering behavior over the whole salt concentration range can only be given in terms of a transition from net repulsion to net attraction between lysozyme monomers. Increased salt screening of the electrostatic repulsion among the protein macro-ions, together with attractive protein interactions, such as van der Waals, hydrophobic and hydration forces, provide an unambiguous mechanism for the observed transition and a more physical interpretation of the various observations.

Muschol, Martin↗

DOE OSTI2026

Surface Hydroxyls of Imogolite Nanotubes Drive Distinct Structures and Mobility Differentiation of Nanoconfined Water

Abstract Nanoconfined fluids, particularly water, govern subsurface geochemistry, yet the molecular-level mechanisms by which mineral surfaces dictate confined water structure and mobility remain poorly resolved. Here, we combine solution- and solid-state proton (1H) NMR spectroscopy, NMR relaxometry, modulated-gradient spin–echo (MGSE) NMR diffusometry, infrared spectroscopy, and molecular dynamics simulations to demonstrate that surface hydroxyls drive the structural and dynamic differentiation of water in imogolite nanotubes. In saturated suspensions, we observe the coexistence of distinct water 1H environments, each exhibiting significantly reduced mobility, which we attribute to strong interactions with the imogolite surfaces. As more mobile water is removed, long-range water diffusivity in the fibrous solid samples slows to 1.6 × 10–10 m2·s–1 while local fluctuations increase to 3.4 × 10–8 m2·s–1, indicating a significant increase in molecular restriction through surface interactions. Together, our experiments reveal three coexisting populations with varied structures and mobilities, all distinct from liquid bulk water. We resolve a persistent solid-like interfacial layer strongly bound to surface hydroxyls, characterized by an unusually short T2 (<1 ms), and a very close effective 1H–1H distance of ∼1.55 Å between water and the inner-surface silanol group. An inner-core population occupying the inner cavity exhibits an intermediate dynamic regime with restricted axial diffusion, while outer-surface water associated with aluminum hydroxyls retains relatively higher mobility. These results experimentally substantiate a hierarchy of water populations in imogolite and show how surface chemistry dictates the structures and dynamics of confined water.

Fleming, Xander B. [Earth and Environmental Scienc↗

NASA NTRS1988

Transient aerodynamic forces on a fighter model during simulated approach and landing with thrust reversers

Previous wind tunnel tests of fighter configurations have shown that thrust reverser jets can induce large, unsteady aerodynamic forces and moments during operation in ground proximity. This is a concern for STOL configurations using partial reversing to spoil the thrust while keeping the engine output near military (MIL) power during landing approach. A novel test technique to simulate approach and landing was developed under a cooperative Northrop/NASA/USAF program. The NASA LaRC Vortex Research Facility was used for the experiments in which a 7-percent F-18 model was moved horizontally at speeds of up to 100 feet per second over a ramp simulating an aircraft to ground rate of closure similar to a no-flare STOL approach and landing. This paper presents an analysis of data showing the effect of reverser jet orientation and jet dynamic pressure ratio on the transient forces for different angles of attack, and flap and horizontal tail deflection. It was found, for reverser jets acting parallel to the plane of symmetry, that the jets interacted strongly with the ground, starting approximately half a span above the ground board. Unsteady rolling moment transients, large enough to cause the probable upset of an aircraft, and strong normal force and pitching moment transients were measured. For jets directed 40 degrees outboard, the transients were similar to the jet-off case, implying only minor interaction.

Humphreys, A. P.↗

NASA NTRS1977

Interacting turbulent boundary layer over a wavy wall

The two dimensional supersonic flow of a thick turbulent boundary layer over a train of relatively small wave-like protuberances is considered. The flow conditions and the geometry are such that there exists a strong interaction between the viscous and inviscid flow. The problem cannot be solved without inclusion of interaction effects due to the occurrence of the separation singularity in classical boundary layer methods. The interacting boundary layer equations are solved numerically using a time-like relaxation method with turbulence effects represented by the inclusion of the eddy viscosity model. Results are presented for flow over a train of up to six waves for Mach numbers of 10 and 32 million/meter, and wall temperature rations (T sub w/T sub 0) of 0.4 and 0.8. Limited comparisons with independent experimental and analytical results are also given. Detailed results on the influence of small protuberances on surface heating by boundary layers are presented.

Polak, A.↗

DOE OSTI2026

Influence of Polymer and Support Interactions on the Electrocatalytic Properties of Heterogenized Molecular Complexes

Heterogenized molecular catalysts have been the subject of increasing interest in the context of electrochemical small molecule activation due to the possibility of active site homogeneity and tunability, which can surpass many nanostructured materials. When molecular catalysts strongly interact with carbon supports through π–π interactions, they tend to show higher selectivity and activity during heterogeneous electrochemical reactions. Indeed, ligand modifications in the secondary sphere that allow for more π–π overlap between catalyst and carbon support often show improved performance. Interactions between catalyst and polymer binder are also a possible modulus of control in these reactions, either through coordinating moieties that interact with active sites or through control over substrate or product transport. Finally, the covalent linking of molecular complexes onto carbon materials has also been shown to result in high activity and stability. Recent advances in the use of carbon supports, both through covalent and non-covalent interactions, and polymers to alter small molecule activation by heterogenized molecular catalysts are summarized in this Perspective.

Johnson, Elizabeth K. [University of Virginia, Cha↗

NASA NTRS1985

Disturbance-wave interactions in flows with crossflow

The leading-edge region of swept wings is dominated by the crossflow instability, resulting in vortices that all rotate in the same sense. The effect of these possibly unsteady vortices on the behavior of other disturbances is examined, and a strong interaction between these and disturbances of half the dominating crossflow wavelength is predicted. According to theory, the interaction is of crossflow-crossflow type. The effect explains the anomalies found in the experimental observations of Saric and Yeates. Visually, they observe vortices at the wavelength predicted by linear theory; however, in their hot-wire measurements they find that the superharmonic dominates disturbance growth, eventually having three times the amplitude of the primary wave. In this case, the usual transition prediction methods would fail, clearly indicating the importance of studying interactions of this sort.

Reed, H. L.↗

NASA NTRS1977

Interacting turbulent boundary layer over a wavy wall

This paper is concerned with the two-dimensional supersonic flow of a thick turbulent boundary layer over a train of relatively small wave-like protuberances. The flow conditions and the geometry are such that there exists a strong interaction between the viscous and inviscid flow. The problem cannot be solved without inclusion of interaction effects due to the occurrence of the separation singularity in classical boundary layer methods. Here the interacting boundary layer equations are solved numerically using a time-like relaxation method with turbulence effects represented by the inclusion of the eddy viscosity model of Cebeci and Smith. Results are presented for flow over a train of up to six waves for Mach numbers of 2.5 and 3.5, Reynolds numbers of 10,000,000/m and 32,000,000/m, and wall temperature ratios of 0.4 and 0.8. Limited comparisons with independent experimental and analytical results are also given.

Polak, A.↗

NASA NTRS1983

A multi-grid method for the computation of viscid/inviscid interactions on airfoils

An improved version of the 'GRUMFOIL' code has been developed for the computation of airfoil flows. The method employs a conservative difference scheme for the potential equation, integral methods for the boundary layer, and viscous coupling conditions that fully account for the wake and strong interaction effects at trailing edges. The improved version uses Jameson's 'MAD' scheme to accelerate convergence of the inviscid solution, an improved 2nd order artificial viscosity and far field 'TARE' correction to reduce spatial truncation errors and Carter's semi-inverse method for the viscous solution. Results are presented which demonstrate a factor of ten reduction in computing cost.

Melnik, R. E.↗

DOE OSTI2024

$K^0_S$ and $Λ(\overline{Λ})$ two-particle femtoscopic correlations in PbPb collisions at $\sqrt{s_{NN}}$ = 5.02TeV

Two-particle correlations are presented for $K^0_S$, $Λ$, and $\overline{Λ}$ strange hadrons as a function of relative momentum in lead-lead collisions at a nucleon-nucleon center-of-mass energy of 5.02 TeV. The dataset corresponds to an integrated luminosity of 0.607 nb -1 and was collected using the CMS detector at the CERN LHC. These correlations are sensitive to quantum statistics and to final-state interactions between the particles. The source size extracted from the $K^0_S$$K^0_S$ correlations is found to decrease from 4.6 to 1.6 fm in going from central to peripheral collisions. Strong interaction scattering parameters (i.e., scattering length and effective range) are determined from the $ΛK^0_S$ and $ΛΛ$ (including their charge conjugates) correlations using the Lednický–Lyuboshitz model and are compared to theoretical and other experimental results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Bidentate Lewis Base Ligand-Mediated Surface Stabilization and Modulation of the Electronic Structure of CsPbBr 3 Perovskite Nanocrystals

The desorption of conventional ligands from the surface of halide perovskite nanocrystals (NCs) often causes their structural instability and the deterioration of the optoelectronic properties. To address this challenge, we present an approach of using a bidentate Lewis base ligand, namely, 1,4-bis(diphenylphosphino)butane (DBPP), for the synthesis of CsPbBr 3 NCs. The phosphine group of DBPP has a strong interaction with PbBr 2 precursor, forming a highly crystalline intermediate complex during the reaction. In the presence of oleic acid, the uncoordinated phosphine group of DBPP is converted into the phosphonium cation, which strongly binds with the surface bromide of the formed CsPbBr 3 NCs through hydrogen bonding. Density functional theory calculations suggest that DBPP can strongly bind to the undercoordinated lead and surface bromide ions of CsPbBr 3 NCs through its unprotonated and protonated phosphine groups, respectively. The robust binding of DBPP with the surface of perovskite NCs helps to preserve their structural integrity under various environmental stresses. Moreover, the electron density and energy levels are regulated in DBPP-capped CsPbBr 3 NCs via the efficient transfer of electrons from the ligands to the NCs, resulting in their improved photocatalytic CO 2 reduction performance. Furthermore, our study highlights the potential of using bidentate ligands to stabilize the surface of perovskite NCs and modulate their optical and electronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Ab initio many-fermion structure calculations on a quantum computer

To overcome the limitations of existing algorithms for solving self-bound quantum many-body problems—such as those encountered in nuclear and particle physics—that access only a restricted subset of energy levels and provide limited structural information, we introduce and demonstrate a novel quantum-classical approach capable of resolving the complete bound-state spectrum. This method also provides the total angular momentum 𝐽 associated with each eigenstate. Here, our approach is based on expressing the Hamiltonian in second-quantized form within a novel input model combined with a scan scheme, enabling broad applicability to configuration-interaction calculations across diverse fields. We apply this hybrid method to compute, for the first time, the bound-state spectrum together with corresponding 𝐽 values of 20 O using a realistic strong-interaction Hamiltonian. Our approach applies to hadron spectra and 𝐽 values solved in the relativistic basis light-front quantization approach.

Du, Weijie [Chinese Academy of Sciences (CAS), Lan↗