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NASA NTRS1992

Ground testing of bioconvective variables such as morphological characterizations and mechanisms which regulate macroscopic patterns

Conditions simulating low- and high-gravity, reveal changes in macroscopic pattern formation in selected microorganisms, but whether these structures are gravity dependent is not clear. Two theories have been identified in the fluid dynamics community which support macroscopic pattern formation. The first one is gravity dependent (fluid density models) where small concentrated regions of organisms sink unstably, and the second is gravity independent (wave reinforcement theory) where organisms align their movements in concert, such that either their swimming strokes beat in phase or their vortices entrain neighbors to follow parallel paths. Studies have shown that macroscopic pattern formation is consistent with the fluid density models for protozoa and algae and wave reinforcement hypothesis for caprine spermatozoa.

Johnson, Adriel D.↗

NASA NTRS1994

General analytic results for nonlinear waves and solitons in molecular clouds

We study nonlinear wave phenomena in self-gravitating fluid systems, with a particular emphasis on applications to molecular clouds. This paper presents analytical results for one spatial dimension. We show that a large class of physical systems can be described by theories with a 'charge density' q(rho); this quantity replaces the density on the right-hand side of the Poisson equation for the gravitational potential. We use this formulation to prove general results about nonlinear wave motions in self-gravitating systems. We show that in order for stationary waves to exist, the total charge (the integral of the charge density over the wave profile) must vanish. This 'no-charge' property for solitary waves is related to the capability of a system to be stable to gravitational perturbations for arbitrarily long wavelengths. We find necessary and sufficient conditions on the charge density for the existence of solitary waves and stationary waves. We study nonlinear wave motions for Jeans-type theories (where q(rho) = rho-rho(sub 0)) and find that nonlinear waves of large amplitude are confined to a rather narrow range of wavelengths. We also study wave motions for molecular clouds threaded by magnetic fields and show how the allowed range of wavelengths is affected by the field strength. Since the gravitational force in one spatial dimension does not fall off with distance, we consider two classes of models with more realistic gravity: Yukawa potentials and a pseudo two-dimensional treatment. We study the allowed types of wave behavior for these models. Finally, we discuss the implications of this work for molecular cloud structure. We argue that molecular clouds can support a wide variety of wave motions and suggest that stationary waves (such as those considered in this paper) may have already been observed.

Adams, Fred C.↗

NASA NTRS2005

Shock Waves in a Bose-Einstein Condensate

A paper presents a theoretical study of shock waves in a trapped Bose-Einstein condensate (BEC). The mathematical model of the BEC in this study is a nonlinear Schroedinger equation (NLSE) in which (1) the role of the wave function of a single particle in the traditional Schroedinger equation is played by a space- and time-dependent complex order parameter (x,t) proportional to the square root of the density of atoms and (2) the atoms engage in a repulsive interaction characterized by a potential proportional to | (x,t)|2. Equations that describe macroscopic perturbations of the BEC at zero temperature are derived from the NLSE and simplifying assumptions are made, leading to equations for the propagation of sound waves and the transformation of sound waves into shock waves. Equations for the speeds of shock waves and the relationships between jumps of velocity and density across shock fronts are derived. Similarities and differences between this theory and the classical theory of sound waves and shocks in ordinary gases are noted. The present theory is illustrated by solving the equations for the example of a shock wave propagating in a cigar-shaped BEC.

Kulikov, Igor↗

NASA NTRS1984

Subbarrier absorption in a stationary superlattice

The calculation of the interband absorption coefficient was carried out in the classical case, when the frequency of light was assumed to bind two miniband subbarrier states of different bands. The influence of two dimensional Mott excitons on this absorption was studied and a comparison was made with the experiment. All of these considerations were done taking into account the photon wave vector (the phase spatial heterogeneity). The basic traits of the energy spectra of superlattice semiconductors, their kinetic and optical properties, and possible means of electromagnetic wave intensification were examined. By the density matrix method, a theory of electrical and electromagnetic properties of superlattices was suggested.

Arutyunyan, G. M.↗

NASA NTRS1984

Ringed planets - Still mysterious. I

The ring systems of Jupiter, Saturn and Uranus have been studied particularly since the Voyager flights, in order to obtain more information on the rings' origin and structure. These ring systems all have satellites but the structure and number of satellites are different. Jupiter, with its two satellites, has a ring that is roughly 6000 km wide while Uranus has nine ringlets, most of which are no wider than tens of kilometers and which are separated by empty space. The three planetary ring systems also show distinctions in composition; for example, the rings of Saturn are thought to be icy while Jupiter's consist mostly of rocky material. The effect that countless particles, which make up each ring and interact with each other through collisions and gravitational attractions, have on the system's energy and angular momentum has been discussed. Spiral density waves and spiral bending waves, are explained by the resonance theory. Further study is needed in this area since the resonance theory does not account for all observed ring structures.

Cuzzi, J. N.↗

NASA NTRS1993

Spiral density waves resonantly excited by a rapidly rotating bar

Recent observations at millimeter wavelengths have revealed bar-spiral structures in the central regions of several nearby spiral galaxies. Moreover, new infrared data and even COBE data seem to support the idea that there is a bar in the central regions of the Milky Way. All of these new findings have rekindled the interest in bar-driven spirals again. First, the mechanism that is responsible for exciting the spiral density waves near the resonances is reviewed, and then a theory to account for the highly nonlinear behavior of the gas associated with the waves is presented. The new results have again demonstrated that the 3 kpc arm phenomenon can be reproduced by a rapidly rotating bar in the galactic center. Similarly, in terms of the resonance excitation mechanism, the recent high-resolution radio observations of the bar-spiral structure in the central regions of nearby galaxies can be explained.

Yuan, Chi↗

NASA NTRS2000

Theory of Type 3 and Type 2 Solar Radio Emissions

The main features of some current theories of type III and type II bursts are outlined. Among the most common solar radio bursts, type III bursts are produced at frequencies of 10 kHz to a few GHz when electron beams are ejected from solar active regions, entering the corona and solar wind at typical speeds of 0.1c. These beams provide energy to generate Langmuir waves via a streaming instability. In the current stochastic-growth theory, Langmuir waves grow in clumps associated with random low-frequency density fluctuations, leading to the observed spiky waves. Nonlinear wave-wave interactions then lead to secondary emission of observable radio waves near the fundamental and harmonic of the plasma frequency. Subsequent scattering processes modify the dynamic radio spectra, while back-reaction of Langmuir waves on the beam causes it to fluctuate about a state of marginal stability. Theories based on these ideas can account for the observed properties of type III bursts, including the in situ waves and the dynamic spectra of the radiation. Type 11 bursts are associated with shock waves propagating through the corona and interplanetary space and radiating from roughly 30 kHz to 1 GHz. Their basic emission mechanisms are believed to be similar to those of type III events and radiation from Earth's foreshock. However, several sub-classes of type II bursts may exist with different source regions and detailed characteristics. Theoretical models for type II bursts are briefly reviewed, focusing on a model with emission from a foreshock region upstream of the shock for which observational evidence has just been reported.

Robinson, P. A.↗

NASA NTRS1982

Whistlers

Theoretical models of ionospheric whistler phenomena are reviewed and compared with experimental data. Whistlers were characterized as lightning discharges through a dispersive medium in 1919, with the first observed appearance of whistler noises detected in telephone communications. Magneto-ionic theory is used to characterize whistlers, with the Appleton-Hartree equations applied to the wave fields arising from lightning interactions with ionospheric plasma. Large values of the refractive index or slow propagation speeds give rise to the whistler mode, i.e., propagation of the wave through plasmas of any density. Propagation through the ionosphere is examined with the Snell's law, and account is taken of absorption and the necessity of obtaining full-wave solutions. Finally, theories are under development to explain the occurrence of ducting, i.e., guiding of the whistler wave by field-aligned plasma density irregularities.

Park, C. G.↗

NASA NTRS1993

Lower hybrid turbulence at cometary bow wave and acceleration of cometary protons

The wave measurements at the spacecraft encounters with Comet Halley have shown intense wave activity at the lower hybrid frequency. The excitation of the lower hybrid instability by the pickup cometary ions (protons and water group) in the bow wave region and the quasi-linear diffusion of the ions in these fluctuations are discussed. The quasi-linear diffusion of the pickup protons takes place over a scale length shorter than that of the heavier water group ions. This enhances damping of the waves by protons, and when the pickup proton density is large enough, it can result in the saturation of the instability as this damping balances the heavy ion driven growth. The observed electric field amplitude and the scale length of proton relaxation are in agreement with the theory. For small pickup proton density the instability can saturate due to the wave energy cascade arising from the modulation instability of the large-amplitude lower hybrid waves. This saturation mechanism leads to electron acceleration and suprathermal tail formation.

Shapiro, V. D.↗

DOE OSTI2024

Ghost states and surface structures of the charge density wave kagome metal ScV 6 Sn 6

In this work, we investigate the high-temperature phase of the kagome metal ScV 6 Sn 6 using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory calculations. STM topographic images of the cleaved sample reveal two distinct surface terminations: flat islands with Sn termination and trenches terminated by kagome layers with Sn as the outermost atomic layer. STS measurements on the Sn-terminated and kagome-terminated surfaces show significant differences, in particular the presence of large density of states near the Fermi level in the former case. Our first-principles calculations reveal that the charge density on the kagome-terminated surface gives rise to “ghost states” which show intensity away from surface atoms, arising due to hybridization of orbitals above the surface. These states can obscure the intrinsic properties of the surface, potentially leading to misattribution of the surface termination. This underscores the need for careful interpretation in STM studies, especially when discerning surface states of localized states. Understanding the surface structure of this versatile quantum material provides essential information for interpreting surface-sensitive experiments, tailoring material properties, engineering interfaces, and controlling stability and reactivity. This knowledge paves the way for further exploration and potential applications of kagome lattice materials in various fields, including quantum computing, topological physics, and advanced electronic devices.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Institute for Catalysis in Energy Processes (ICEP) (Final Report)

The Institute for Catalysis in Energy Processes (ICEP) was a multi-PI program located at the Northwestern University Center for Catalysis and Surface Science from 2006-2024. Over several renewal cycles and several organizing themes, ICEP addressed fundamental questions in catalysis science. In turn, the scientific questions addressed were directly relevant to the efficient use of the nation’s resources to produce fuels and commodity chemicals, harness alternate energy sources for chemical reactions such as light or electricity, reduce emissions and waste, and minimize the impact of our use of plastics. Selective oxidation, (oxidative) dehydrogenation, deNOx, CO 2 reduction, hydrogen release, polymer decomposition / depolymerization, and many other reactions of intense interest to the US Department of Energy were studied in the center. Major ICEP strengths were in catalyst synthesis, in measurements that elucidated catalyst properties, in reaction mechanisms and kinetics, and in predictive theory and modeling. ICEP researchers were often the inventors or developers of materials and methods that were brought to bear on the Institute’s catalytic systems. Key characterization tools advanced through this project included resonance Raman and related techniques, sum frequency generation, and X-ray standing wave spectroscopy. Center members relied extensively on computational tools such as density functional theory and microkinetic modeling to fully investigate catalyst structures and catalytic mechanisms. ICEP researchers were early developers of atomic layer deposition (ALD) for catalyst synthesis and were early pioneers of metal organic frameworks for catalysis. ICEP innovations are found in areas of intense research such as single-atom catalysts, catalytic deconstruction of plastics, and catalytic MOFs, to name a few. Research areas initiated by ICEP indirectly led to DOE EFRCs, startup companies, and other achievements. Over its 18 years of existence, ICEP involved two different PIs (Stair and Notestein) and 24 senior investigators across several academic disciplines at Northwestern University. There were tight collaborations with Argonne National Laboratory, including specialized equipment and experiments permanently located there. The center supported ~400 person-years of effort by graduate students and postdocs, either directly through DOE support or indirectly by leveraging independent support provided to the trainees, e.g. through the NSF GRFP or internal fellowships. The project resulted in 328 manuscripts and numerous conference presentations.

36 MATERIALS SCIENCE↗

NASA NTRS1983

The interplanetary shock event of November 11/12 1978, a comprehensive test of acceleration theory

A comprehensive study of the November 11/12, 1978 shock event based on energetic particle, solar wind, magnetic field and wave data from the ISEE-3, -1 and -2 spacecraft has been undertaken both from the energetic and the collisionless shock point of view. The energy density of 10-50 keV protons accelerated by the shock is found to be equivalent to the upstream magnetic field energy density. The observations are in quantitative agreement with Lee's (1983) self consistent theory for the excitation of hydromagnetic waves and the acceleration of ions upstream of interplanetary shocks.

Wenzel, K. P.↗

DOE OSTI2026

How Does Metal Spin State Affect Electronic Communication in Mixed-Valence Dimers? Insights from Ultrafast Near-Infrared and Soft X-ray Transient Absorption Spectroscopy

Recent advancements in photocatalysis, photovoltaics, and quantum information science take advantage of electron spin, and determining how spin multiplicity affects electron transfer is key to understanding these phenomena. Here, in this study, we examine how metal spin state affects electronic communication in an organometallic mixed-valence dimer, ferrocenyl cobaltocenium ([Fe II Cp 2 Co III Cp 2 ] + ). This complex can be photoexcited from its low-spin singlet Fe II ground state to form intermediate-spin triplet Fe II and high-spin quintet Fe II excited states. Using femtosecond optical transient absorption (OTA) spectroscopy with visible (vis), near-infrared (NIR), and short-wave IR (SWIR) probes, supported by time-dependent density functional theory (TD-DFT) calculations, we measure Fe II Co III →Fe III Co II intervalence charge transfer (IVCT) bands in each of the Fe II spin states. Mulliken–Hush analysis of the excited-state IVCT bands was used to compute the electronic coupling between the metal centers in all three spin states, which increased as quintet < triplet < singlet. Meanwhile, the peak energy of the bands, and thus the ΔG of the IVCT transition, increased as triplet < quintet < singlet. Then, to directly probe the electronic structure at each metal center, we employed picosecond soft X-ray transient absorption (XTA) spectroscopy at the Fe and Co L 3 edges. Our results show that the low-spin and high-spin states of [Fe II Cp 2 Co III Cp 2 ] + are valence-localized, while the intermediate-spin state is partially delocalized. The differences in charge delocalization are attributed to differences in orbital occupation and geometry that affect the free energy and superexchange coupling.

Burke, John H. [Univ. of Illinois at Urbana-Champa↗

DOE OSTI2024

Band structure and Fermi surface nesting in LaSb 2

Here we use high-resolution angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) to investigate the electronic structure of the charge density wave (CDW) system LaSb 2 . This compound is among an interesting group of materials that manifests both a CDW transition and lower temperature superconductivity. We find the DFT calculations to be in good agreement with our ARPES data. The Fermi surface of LaSb 2 consists of two small hole pockets close to Γ and four larger pockets near the Brillouin zone boundary. The key features of the Fermi surface do not vary significantly with temperature. A saddle point is present at -0.19 eV below the Fermi level at Γ. Saddle points in the band structure have more pronounced effects on materials properties when they are located closer to the Fermi level, making doped LaSb 2 compounds a potential interesting subject of future research. Multiple peaks are present in the generalized, electronic susceptibility calculations, indicating the presence of three possible nesting vectors. We were not able to detect any signatures of the CDW transition at 355 K down to the lowest temperature of 7 K, pointing to the subtle nature of this transition. This is unusual, given that such a high transition temperature is expected to be associated with the presence of a large CDW gap. This is confirmed through investigation of the Fermi surface and through analysis of momentum distribution curves. It is possible that changes are subtle and occur below current sensitivity of our measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1983

The interplanetary shock event of November 11/12 1978 - A comprehensive test of acceleration theory

A comprehensive study of the November 11, 12, 1978 shock event based on energetic particle, solar wind, magnetic field and wave data from the ISEE-3, -1 and -2 spacecraft has been undertaken both from the energetic and the collisionless shock point of view. The energy density of 10-50 keV protons accelerated by the shock is found to be equivalent to the upstream magnetic field energy density. The observations are in quantitative agreement with Lee's (1983) self consistent theory for the excitation of hydromagnetic waves and the acceleration of ions upstream of interplanetary shocks.

Wenzel, K.-P.↗

DOE OSTI2024

First-order structural phase transition at low temperature in GaPt 5 P and its rapid enhancement with pressure

Single crystals of X Pt 5 ⁢P (X = Al, Ga, and In), belonging to the 1-5-1 family of compounds, were grown from a Pt-P solution at high temperatures, and measurements of the ambient pressure, temperature-dependent magnetization, resistivity, and x-ray diffraction were made. Additionally, the ambient-pressure Hall resistivity and temperature-dependent resistance under pressure were measured on GaPt 5 ⁢P. All three compounds have a tetragonal P4/mmm crystal structure at room temperature with metallic transport and weak diamagnetism over the 2–300 K temperature range. Surprisingly, at ambient pressure, both the transport and magnetization measurements on GaPt 5 ⁢P show a steplike feature in the 70–90 K region, suggesting a possible structural phase transition. Neither AlPt 5 ⁢P nor InPt 5 ⁢P have any signatures of a phase transition in their temperature-dependent electrical resistance and magnetization data. Both the hysteretic nature and sharpness of the features in the GaPt 5 ⁢P data suggest that the transition is first-order. Further, single-crystal x-ray diffraction measurements provided further details of the structural transition with a possibility of a crystal symmetry different from P⁢4/mmm below the transition temperature. The transition is characterized by anisotropic changes in the lattice parameters and a volume collapse with respect to the high-temperature tetragonal crystal structure. Furthermore, satellite peaks are observed at two distinct and nonequivalent wave vectors (0, 0, 0.5) and (0.5, 0.5, 0.5), and density functional theory calculations present phonon softening, especially at (0.5, 0.5, 0.5), as a possible driving mechanism. Additionally, we find that the structural transition temperature increases rapidly with increasing pressure, reaching room temperature by ~2.2 GPa, highlighting the high degree of pressure sensitivity of GaPt 5 ⁢P and fragile nature of its room-temperature structure. Even though the volume collapse and extreme pressure sensitivity suggest chemical pressure should drive a similar structural change in AlPt 5⁢ P, where both unit-cell dimensions and volume are smaller, its structure is found to be the same as that of the room-temperature GaPt 5 ⁢P. Overall, GaPt 5 ⁢P stands out as a sole member of the 1-5-1 family of compounds for which a temperature-driven structural change has been observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1982

Standing waves along a microwave generated surface wave plasma

Two surface wave plasma columns, generated by microwave power in argon at gas pressures of 0.05 torr to 330 torr, interact in the same discharge tube to form standing surface waves. Radial electric field and azimuthal magnetic field outside the discharge tube are measured to be 90 deg out of phase with respect to axial position and to decay exponentially with radial distance from the tube axis. Maximum light emission occurs at the position of maximum azimuthal magnetic field and minimum radial electric field. Electron temperature and density are measured at low pressures with double probes inserted into the plasma at a null of radial electric field. Measured electron densities compare well with those predicted by Gould-Trivelpiece surface wave theory.

Rogers, J.↗

NASA NTRS1987

Airborne microwave Doppler measurements of ocean wave directional spectra

A technique is presented for measuring ocean wave directional spectra from aircraft using microwave Doppler radar. The technique involves backscattering coherent microwave radiation from a patch of sea surface which is small compared to dominant ocean wavelengths in the antenna look direction, and large compared to these lengths in the perpendicular (azimuthal) direction. The mean Doppler shift of the return signal measured over short time intervals is proportional to the mean sea surface velocity of the illuminated patch. Variable sea surface velocities induced by wave motion therefore produce time-varying Doppler shifts in the received signal. The large azimuthal dimension of the patch implies that these variations must be produced by surface waves traveling near the horizontal antenna look direction thus allowing determination of the direction of wave travel. Linear wave theory is used to convert the measured velocities into ocean wave spectral densities. Spectra measured simultaneously with this technique and two laser profilometers, and nearly simultaneous with this technique and two laser profilometers, and nearly simultaneous with a surface buoy, are presented. Applications and limitations of this airborne Doppler technique are discussed.

Plant, W. J.↗