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At least 451 records · Page 25

Field-induced magnetization of δ -plutonium from density functional theory

Here, we present results from density functional theory (DFT) calculations of magnetization, induced by an external magnetic field, for δ-phase plutonium. The fully relativistic electronic structure accounts for Zeeman splitting effects through a Hamiltonian that couples the magnetic field to both spin and orbital magnetic moments. The electronic-structure model is further improved by an extension to DFT in terms of an orbital-orbital coupling via the conventional orbital-polarization method, as has routinely been done for plutonium. The response to the applied magnetic field is shown to be weak in the DFT model, with induced magnetic moments of the order of in magnetic fields up to 30 T. These results are in accord with recent assessments from x-ray magnetic circular dichroism measurements in magnetic field on δ-plutonium. Somewhat surprisingly, a model assuming δ-plutonium to be absent magnetic moments shows stronger response to an external static magnetic field than models allowing for antiferromagnetism or magnetic disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Evaluation of turbulence induced noise in coherent anti-Stokes Raman scattering

The effect of turbulence in a transonic wind tunnel on coherent anti-Stokes Raman scattering is considered. The driving pump and Stokes waves are taken to be coaxially propagating Gaussian beam waves which are focused on the Raman active medium through the turbulent boundary layer of the flow tube. The random index of refraction variations in the layer are modeled as phase perturbations of the driving waves which cause a reduction of the mean on-axis field and an increase in the mean diameter of the beams. Effective Gaussian beam parameters are developed and the radiated anti-Stokes power calculated as a function of the phase screen parameters. A significant reduction in signal strength occurs for realistic estimates of the phase screen parameter appropriate to a confined transonic flow. A method for estimating the signal degradation which could be applied to other experimental situations is presented.

Elliott, R. A.↗

Electron heating in quasi-perpendicular shocks - A Monte Carlo simulation

To study the problem of electron heating in quasi-perpendicular shocks, under the combined effects of 'reversible' motion, in the shock electric potential and magnetic field, and wave-particle interactions a diffusion equation was derived, in the drift (adiabatic) approximation and it was solved by using a Monte Carlo method. The results show that most of the observations can be explained within this framework. The simulation has also definitively shown that the electron parallel temperature is determined by the dc electromagnetic field and not by any wave particle induced heating. Wave-particle interactions are effective in smoothing out the large gradients in phase space produced by the 'reversible' motion of the electrons, thus producing a 'cooling' of the electrons. Some constraints on the wave-particle interaction process may be obtained from a detailed comparison between the simulation and observations. In particular, it appears that the adiabatic approximation must be violated in order to explain the observed evolution of the perpendicular temperature.

Veltri, Pierluigi↗

The real-time display of interferometry data for Goldstone radar astronomy data acquisition

A method for visualizing radar interferometry data in real time has been developed for the Goldstone radar astronomy ranging data-acquisition system. The presentation is similar in appearance to a vector field display or data-based grid. This form was selected to facilitate the recognition of characteristic patterns of local variation in the phase and magnitude of complex elements in a two-dimensional data array. The design emphasized efficiency under the demands of real-time processing and remote monitoring. The interferometry 'phase-magnitude' presentation, as it has come to be called, has been used to monitor radar interferometry experiments on three targets, beginning with the asteroid 4179 Toutatis, and continuing with Mars and Mercury.

Howard, S. D.↗

Use of a Microphone Phased Array to Determine Noise Sources in a Rocket Plume

A 70-element microphone phased array was used to identify noise sources in the plume of a solid rocket motor. An environment chamber was built and other precautions were taken to protect the sensitive condenser microphones from rain, thunderstorms and other environmental elements during prolonged stay in the outdoor test stand. A camera mounted at the center of the array was used to photograph the plume. In the first phase of the study the array was placed in an anechoic chamber for calibration, and validation of the indigenous Matlab(R) based beamform software. It was found that the "advanced" beamform methods, such as CLEAN-SC was partially successful in identifying speaker sources placed closer than the Rayleigh criteria. To participate in the field test all equipments were shipped to NASA Marshal Space Flight Center, where the elements of the array hardware were rebuilt around the test stand. The sensitive amplifiers and the data acquisition hardware were placed in a safe basement, and 100m long cables were used to connect the microphones, Kulites and the camera. The array chamber and the microphones were found to withstand the environmental elements as well as the shaking from the rocket plume generated noise. The beamform map was superimposed on a photo of the rocket plume to readily identify the source distribution. It was found that the plume made an exceptionally long, >30 diameter, noise source over a large frequency range. The shock pattern created spatial modulation of the noise source. Interestingly, the concrete pad of the horizontal test stand was found to be a good acoustic reflector: the beamform map showed two distinct source distributions- the plume and its reflection on the pad. The array was found to be most effective in the frequency range of 2kHz to 10kHz. As expected, the classical beamform method excessively smeared the noise sources at lower frequencies and produced excessive side-lobes at higher frequencies. The "advanced" beamform routine CLEAN-SC created a series of lumped sources which may be unphysical. We believe that the present effort is the first-ever attempt to directly measure noise source distribution in a rocket plume.

Panda, J.↗

Metallicities of Emission-Line Galaxies from HST ACS PEARS and HST WFC3 ERS Grism Spectroscopy at 0.6 is less than z is less than 2.4

Galaxies selected on the basis of their emission line strength. show low metallicities, regardless of their redshifts. We conclude this from a sample of faint galaxies at redshifts between 0.6 < z < 2.4, selected by their prominent emission lines in low resolution grism spectra in the optiCa.i with the Advanced Camera for Surveys (ACS) on the Hubble Space Telescope (HST) and in the near-infrared using Wide-Field Camera 3 (WFC3). Using a sample of 11 emission line galaxies (ELGs) at 0.6 < z < 2.4 with luminosities of -22 approx < MB approx -19 which have [OII], H-Beta, and [OIII] line flux measurements from the combination of two grism spectral surveys, we use the R23 method to derive the gas-phase oxygen abundances: 7.5 <12+log(0/H)<8.5. The galaxy stellar masses are derived using Bayesian based Markov Chain Monte Carlo (pi MC(exp 2)) fitting of their Spectral Energy Distribution (SED), and span the mass range 8.1 < log(M(stellar)/M(solar)) < 10.1. These galaxies show a mass-metal1icity (M-L) and Luminosity-Metallicity (LZ) relation, which is offset by -<J.6 dex in meta1licity at given absolute magnitude and stellar mass relative to the local SDSS galaxies, as well as continuum selected DEEP2 samples at similar redshifts. The emission-line selected galaxies most resemble the local "green peas" galaxies and Lyman-alpha galaxies at z approx = 0.3 and z approx = 2.3 in the M-Z and L-Z relations and their morphologies. The G - M(sub 20) morphology analysis shows that 10 out of 11 show disturbed morphology, even as the star-forming regions are compact. These galaxies may be intrinsically metal poor, being at early stages of formation, or the low metallicities may be due to gas infall and accretion due to mergers.

Xia, Lifang↗

Cosmo Cassette: A Microfluidic Microgravity Microbial System For Synthetic Biology Unit Tests and Satellite Missions

Although methods in the design-build-test life cycle of the synthetic biology field have grown rapidly, the expansion has been non-uniform. The design and build stages in development have seen innovations in the form of biological CAD and more efficient means for building DNA, RNA, and other biological constructs. The testing phase of the cycle remains in need of innovation. Presented will be both a theoretical abstraction of biological measurement and a practical demonstration of a microfluidics-based platform for characterizing synthetic biological phenomena. Such a platform demonstrates a design of additive manufacturing (3D printing) for construction of a microbial fuel cell (MFC) to be used in experiments carried out in space. First, the biocompatibility of the polypropylene chassis will be demonstrated. The novel MFCs will be cheaper, and faster to make and iterate through designs. The novel design will contain a manifold switchingdistribution system and an integrated in-chip set of reagent reservoirs fabricated via 3D printing. The automated nature of the 3D printing yields itself to higher resolution switching valves and leads to smaller sized payloads, lower cost, reduced power and a standardized platform for synthetic biology unit tests on Earth and in space. It will be demonstrated that the application of unit testing in synthetic biology will lead to the automatic construction and validation of desired constructs. Unit testing methodologies offer benefits of preemptive problem identification, change of facility, simplicity of integration, ease of documentation, and separation of interface from implementation, and automated design.

Bioelectrochemical System↗

A FFT-based mesoscale continuum dislocation mechanics with defect energy: Applications to composites and polycrystals

A crystal plasticity elastoviscoplastic FFT (fast Fourier transform) formulation with a mesoscale continuum field dislocation mechanics model is presented, which incorporates a defect energy density that depends on GND densities and an associated material length scale. This allows to thermodynamically derive internal length scale dependent intra-crystalline backstress and Peach–Koehler force acting on GND densities. The model considers GND density evolution through a filtered numerical spectral approach, which is coupled with stress equilibrium through the elastoviscoplastic FFT algorithm. The discrete Fourier transform (DFT) method together with finite difference (FD) schemes is applied to solve both the backstress tensor and the Fourier–Green operator. Numerical results are first reported for two-phase laminate composites with plastic single crystal channels and elastic precipitates for shear loadings. Channel size effects are simulated and analyzed on the overall and local hardening behaviors during monotonous loadings. In addition, the evolutions of GND densities and the role of their associated backstress on size effects are examined during reversible shear loading. In a second part, the role of the defect energy internal length scale on polycrystal’s hardening during tension–compression is discussed. The results are compared to those obtained using FFT-based continuum field dislocation mechanics without defect energy.

36 MATERIALS SCIENCE↗

Contact with Electrically Conductive Inert Solids Alters Intrinsic Heterogeneous Brønsted Acid Catalysis

Interfacial electric fields at heterogeneous catalyst surfaces have been demonstrated to alter kinetics of liquid-phase reactions. In these systems, electric fields are generated from applying a potential to the catalyst through connection to a potentiostat or through electron transfer from redox-active species in solution. Here, we demonstrate that catalyst polarization can also occur by simply contacting electrically conductive inert solids, leading to the counterintuitive conclusion that a catalyst particle touching an inert solid can alter intrinsic reaction rates. Using dehydration of 1-methylcyclopentanol to 1-methylcyclopentene catalyzed by Brønsted-acidic carboxylic acid groups on carbon nanotubes as a proof-of-concept probe reaction, we show that catalyst contact with inert, thermally reduced carbon nanotubes leads to order-of-magnitude changes in reaction rate. Furthermore, we demonstrate that these contact-induced effects can also be observed under standard laboratory reaction conditions, where particle-to-particle contact in stirred catalyst powder suspensions is sufficient to demote rates by ∼8-fold. This work provides the foundation for a new method of reaction rate control, which could have implications whenever heterogeneous catalyst particles are in contact with inert materials for liquid-phase reactions in the presence of electrolyte.

Alcohols↗

Multinuclear Solid-State NMR and NMR Crystallography of Solid Forms of Creatine and Creatinine

Creatine is a performance-enhancing supplement with two widely available commercial solid forms, namely, creatine monohydrate (creatine·H 2 O) and creatine HCl, the latter of which does not have a reported crystal structure. Moreover, commercial formulations of creatine may contain creatinine, an undesired impurity phase resulting from the self-cyclization of creatine during manufacturing. Therefore, reliable methods for characterizing the different solid forms of creatine and detecting the presence of creatinine are essential. Herein, we address these challenges using 13 C, 15 N, and 35 Cl solid-state NMR (SSNMR) spectroscopy to obtain distinct spectral fingerprints for creatine·H 2 O and creatine HCl, along with creatinine and creatinine HCl. The acquisition of these SSNMR spectra offers a robust approach for both the rapid characterization of each solid form and the detection of the impurity phases. Additionally, quadrupolar NMR crystallography-guided crystal structure prediction (QNMRX-CSP) was applied for the de novo crystal structure determination of creatine HCl, which was validated by the subsequently determined single-crystal X-ray diffraction (SCXRD) structure. Finally, to investigate the relationship between NMR parameters and structural features, 13 C and 15 N chemical shifts and 35 Cl electric field gradient (EFG) tensors were computed from geometry-optimized structures of the four solid forms by using dispersion-corrected DFT-D2* methods. Finally, this integrative approach offers a powerful framework for advancing the structural understanding and quality control of creatine-based supplements and next-generation formulations, as well as a wide range of other solid pharmaceuticals and nutraceuticals.

NMR↗

Electrical Control of Magnetic Resonance in Phase Change Materials

Metal–insulator transitions (MITs) in resistive switching materials can be triggered by an electric stimulus that produces significant changes in the electrical response. When these phases have distinct magnetic characteristics, dramatic changes in the spin excitations are also expected. The transition metal oxide La 0.7 Sr 0.3 MnO 3 (LSMO) is a ferromagnetic metal at low temperatures and a paramagnetic insulator above room temperature. When LSMO is in its metallic phase, a critical electrical bias has been shown to lead to an MIT that results in the formation of a paramagnetic resistive barrier transverse to the applied electric field. Using spin-transfer ferromagnetic resonance spectroscopy, we show that even for electrical biases less than the critical value that triggers the MIT, there is magnetic phase separation, with the spin-excitation resonances varying systematically with applied bias. Therefore, voltage-triggered MITs in LSMO can alter magnetic resonance characteristics, offering an effective method for tuning synaptic weights in neuromorphic circuits.

36 MATERIALS SCIENCE↗

Radiation boundary condition and anisotropy correction for finite difference solutions of the Helmholtz equation

In this paper finite-difference solutions of the Helmholtz equation in an open domain are considered. By using a second-order central difference scheme and the Bayliss-Turkel radiation boundary condition, reasonably accurate solutions can be obtained when the number of grid points per acoustic wavelength used is large. However, when a smaller number of grid points per wavelength is used excessive reflections occur which tend to overwhelm the computed solutions. Excessive reflections are due to the incompability between the governing finite difference equation and the Bayliss-Turkel radiation boundary condition. The Bayliss-Turkel radiation boundary condition was developed from the asymptotic solution of the partial differential equation. To obtain compatibility, the radiation boundary condition should be constructed from the asymptotic solution of the finite difference equation instead. Examples are provided using the improved radiation boundary condition based on the asymptotic solution of the governing finite difference equation. The computed results are free of reflections even when only five grid points per wavelength are used. The improved radiation boundary condition has also been tested for problems with complex acoustic sources and sources embedded in a uniform mean flow. The present method of developing a radiation boundary condition is also applicable to higher order finite difference schemes. In all these cases no reflected waves could be detected. The use of finite difference approximation inevita bly introduces anisotropy into the governing field equation. The effect of anisotropy is to distort the directional distribution of the amplitude and phase of the computed solution. It can be quite large when the number of grid points per wavelength used in the computation is small. A way to correct this effect is proposed. The correction factor developed from the asymptotic solutions is source independent and, hence, can be determined once and for all. The effectiveness of the correction factor in providing improvements to the computed solution is demonstrated in this paper.

Tam, Christopher K. W.↗

Computer code for scattering from impedance bodies of revolution. Part 3: Surface impedance with s and phi variation. Analytical and numerical results

The third phase of the development of the computer codes for scattering by coated bodies that has been part of an ongoing effort in the Electromagnetics Laboratory of the Electrical Engineering and Computer Science Department at the University of Illinois at Chicago is described. The work reported discusses the analytical and numerical results for the scattering of an obliquely incident plane wave by impedance bodies of revolution with phi variation of the surface impedance. Integral equation formulation of the problem is considered. All three types of integral equations, electric field, magnetic field, and combined field, are considered. These equations are solved numerically via the method of moments with parametric elements. Both TE and TM polarization of the incident plane wave are considered. The surface impedance is allowed to vary along both the profile of the scatterer and in the phi direction. Computer code developed for this purpose determines the electric surface current as well as the bistatic radar cross section. The results obtained with this code were validated by comparing the results with available results for specific scatterers such as the perfectly conducting sphere. Results for the cone-sphere and cone-cylinder-sphere for the case of an axially incident plane were validated by comparing the results with the results with those obtained in the first phase of this project. Results for body of revolution scatterers with an abrupt change in the surface impedance along both the profile of the scatterer and the phi direction are presented.

Uslenghi, Piergiorgio L. E.↗

Catastrophe Optics Method to Determine the Micro-Nano Size Profiles at TPL of Liquid Films on a Solid Surface

As discovered by recent studies, what directly affects the wetting and spreading is curvature in micro-region rather than the macroscopic contact angle. Measuring the profile of the micro-region becomes an important research topic. Recently, catastrophe optics has been applied to this kind of measurements. Optical catastrophe occurring in far field of waves of liquid-refracted laser beam implies a wealth of information about the liquid spreading not only for liquid drops but also for films. When a parallel laser beam passes through a liquid film on a slide glass at three-phase-line (TPL), very interesting optical image patterns occur on a screen far from the film. An analysis based on catastrophe optics discloses and interprets the formation of these optical image patterns. The analysis reveals that the caustic line manifested as the bright-thick line on the screen implies the lowest hierarchy of optical catastrophes, called fold caustic. This optical catastrophe is produced by the inflexion line on liquid surface at the liquid foot, which is formed not only in the spreading of drops but also in spreading of films. The generalized catastrophe optics method enables to identify the edge profiles and determine the edge foot height of liquid films. Keywords: Crossover region, Inflexion line, liquid edge foot, Catastrophe optics, Caustic and diffraction

Chao, David F.↗

A semi–automatic analytical methodology for characterizing the energy consumption of MRI systems using load duration curves

Background and purpose: Magnetic resonance imaging (MRI) scanners are a major contributor to greenhouse gas emissions from the healthcare sector, and efforts to improve energy efficiency and reduce energy consumption rely on quantification of the characteristics of energy consumption. The purpose of this work was to develop a semi-automatic analytical methodology for the characterization of the energy consumption of MRI systems using only the load duration curve (LDC). LDCs are a fundamental tool used across various fields to analyze and understand the behavior of loads over time. Methods: An electric current transformer sensor and data logger were installed on two 3T MRI scanners from two vendors, termed M1 (outpatient scanner) and M2 (inpatient/emergency scanner). Data was collected for 1 month (7/11/2023 to 8/11/2023). Active power was calculated, assuming a balanced three-phase system, using the average current measured across all three phases, a 480 V reference voltage for both machines, and vendor-provided power factors. An LDC was constructed for each system by sorting the active power values in descending order and computing the cumulative time (in units of percentage) for each data point. The first derivative of the LDC was then computed (LDC’), smoothed by convolution with a window function (sLDC’), and used to detect transitions between different system modes including (in descending power levels): scan, prepared-to-scan, idle, low-power, and off. The final, segmented LDC was used to measure time (% total time), total energy (kWh), and mean power (kW) for each system mode on both scanners. The method was validated by comparing mean power values, computed using the segmented 1-month LDC, for each nonproductive system mode (i.e., prepared-to-scan, idle, lower-power, and off) against power levels measured after a deliberate system shutdown was performed for each scanner (1 day worth of data). Results: The validation revealed differences in mean power values <1.4% for all nonproductive modes and both scanners. In the scan system mode, the mean power values ranged from 29.8 to 37.2 kW and the total energy consumed for 1 month ranged from 11 106 to 14 466 kWh depending on the scanner. Over the course of 1 month, the portion of time the scanners were in nonproductive modes ranged from 76% to 80% across scanners and the nonproductive energy consumption ranged from 8010 to 6722 kWh depending on the scanner. The M1 (outpatient) scanner consumed 99.9 and 183.9 kWh/day in idle mode for weekdays and weekends, respectively, because the scanner spent 23% more time proportionally in idle mode on the weekends. Conclusions: A semi-automatic method for quantifying energy consumption characteristics of MRI scanners was introduced and validated. This method is relatively simple to implement as it requires only power data from the scanners and avoids the technical challenges associated with extracting and processing scanner log files. Finally, the methodology enables quantitative evaluation of the power, time, and energy characteristics of MRI scanners in scan and nonproductive system modes, providing baseline data and the capability of identifying potential opportunities for enhancing the energy efficiency of MRI scanners.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Ion-molecule collision frequencies in gases determined by phase coherent pulsed ICR.

The transient method considered is analogous to similar phase coherence experiments performed in NMR and plasma physics. Using a pulsed ion cyclotron resonance (ICR) spectrometer equipped with a trapped ion analyzer cell, gaseous ions are formed by a pulse of an electron beam and then trapped in the cell by the combined effects of the magnetic and electrostatic fields. The results obtained in the experiments indicate that the classical mobility treatment of Wannier (1953) is helpful in the understanding of collision frequencies under the considered conditions.

Lieder, C. A.↗

Measurement of spray combustion processes

A free jet configuration was chosen for measuring noncombusting spray fields and hydrocarbon-air spray flames in an effort to develop computational models of the dynamic interaction between droplets and the gas phase and to verify and refine numerical models of the entire spray combustion process. The development of a spray combustion facility is described including techniques for laser measurements in spray combustion environments and methods for data acquisition, processing, displaying, and interpretation.

Peters, C. E.↗