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DOE OSTI2025

Operation of helium sub-atmospheric multistage cryogenic centrifugal compressor trains: Part 1 – Steady state modeling and speed ratio selection

Helium cryogenic systems which can provide cooling below the normal boiling point of helium (approximately 4.2 K) are often required by superconducting radio-frequency niobium resonators utilized in modern high-energy particle accelerators. Achieving temperatures below 4.2 K generally involves operating a cryogenic vessel with liquid helium under sub-atmospheric conditions, thereby lowering the saturation pressure and corresponding saturation temperature. Over the last several decades, multi-stage cryogenic centrifugal compressor trains (CC’s) have been operated efficiently and reliably within large-scale cryogenic systems to continuously evacuate helium vapor generated by a device within the vessel, maintaining sub-atmospheric conditions in the vessel while pressurizing the return vapor to above atmospheric conditions. Traditionally, these CC systems have been operated using empirically derived control philosophies and insight gathered from previous operational experience. Recent efforts at the Facility for Rare Isotope Beams (FRIB) have been aimed at the development of a theoretical basis to characterize the operation of multi-stage cryogenic centrifugal compressor train and utilizing predictive model results to generate control parameters. The objective of this research was identifying operational points which adequately balance cryogenic system efficiency, stability, and overall ease of operation. Furthermore, this manuscript provides an overview of the predictive model development, characterization of the FRIB cryogenic centrifugal compressors and implementation of the predicted performance results during steady-state system operation.

Compressor train control↗

NASA NTRS1985

ISAAC (integrated Structural Analysis and Control) via Continuum Modeling and Distributed Frequency Domain Design Techniques

A methodology is proposed for the integrated design of structures and their controls. The integration of design is accomplished through simultaneous selection, via optimization, of designer-specified parameters governing the structure and its controller. The cost function is chosen to address the primary structural and control goals. Inequality constraints are added to insure that additional design requirements are met. The methodology is illustrated through development of an example involving a cantilever beam. A distributed transfer function is derived from the Bernoulli-Euler beam equation. A controller parameterization is then chosen, and performance requirements specified. A controller is then obtained via optimization, which is shown to give good performance.

Gustafson, C. L.↗

NASA NTRS1989

A novel multistage estimation of the signal parameters of a possibly data-modulated sinusoid under very high dynamics

A novel multistage estimation scheme is presented for estimating the parameters of a received carrier signal possibly phase-modulated by unknown data, and experiencing very high Doppler, Doppler rate, etc. Such a situation arises, for example, in the case of Global Positioning Systems (GPS) where the signal parameters are directly related to the position, velocity, acceleration and jerk of the GPS receiver. In the proposed multistage scheme, the first stage estimator operates as a coarse estimator resulting in higher rms estimation errors but with a relatively small probability of the frequency estimation error exceeding one-half of the sampling frequency (an event termed cycle slip). The second state of the estimator operates on the error signal available from the first stage, refining the overall estimates, and in the process also reduces the number of cycle slips. The first stage algorithm is selected to be a modified least squares algorithm operating upon the differential signal model and referred to as differential least squares. This estimation stage provides relatively coarse estimates of the frequency and its derivatives. The second algorithm is simply an extended Kalman filter which also yields the estimate of the phase along with a more refined estimate of frequency as well. A major advantage of the proposed algorithm is a reduction in the threshold on received carrier power-to-noise power spectral density ratio as compared to the threshold achievable by either of these algorithms alone. In fact, it appears from the simulations that for the case of an unmodulated carrier, the proposed scheme achieves the same threshold as for an almost exact and computationally intensive implementation of the maximum likelihood estimator.

Kumar, Rajendra↗

NASA NTRS1992

Coherent systems in the terahertz frequency range: Elements, operation, and examples

The topics are presented in viewgraph form and include the following: terahertz coherent systems applications; a brief overview of selected components; radiometry and spectroscopy--astronomy; radiometry--aircraft all weather landing system; radiometry--atmospheric remote sensing; plasma diagnostics; communications; radar systems; and materials measurement and manufacturing process control.

Goldsmith, Paul F.↗

DOE OSTI2022

Quantifying shifts in natural selection on codon usage between protein regions: a population genetics approach

Codon usage bias (CUB), the non-uniform usage of synonymous codons, occurs across all domains of life. Adaptive CUB is hypothesized to result from various selective pressures, including selection for efficient ribosome elongation, accurate translation, mRNA secondary structure, and/or protein folding. Given the critical link between protein folding and protein function, numerous studies have analyzed the relationship between codon usage and protein structure. The results from these studies have often been contradictory, likely reflecting the differing methods used for measuring codon usage and the failure to appropriately control for confounding factors, such as differences in amino acid usage between protein structures and changes in the frequency of different structures with gene expression. Here we take an explicit population genetics approach to quantify codon-specific shifts in natural selection related to protein structure in S. cerevisiae and E. coli. Unlike other metrics of codon usage, our approach explicitly separates the effects of natural selection, scaled by gene expression, and mutation bias while naturally accounting for a region’s amino acid usage. Bayesian model comparisons suggest selection on codon usage varies only slightly between helix, sheet, and coil secondary structures and, similarly, between structured and intrinsically-disordered regions. Similarly, in contrast to previous findings, we find selection on codon usage only varies slightly at the termini of helices in E. coli. Using simulated data, we show this previous work indicating “non-optimal” codons are enriched at the beginning of helices in S. cerevisiae was due to failure to control for various confounding factors (e.g. amino acid biases, gene expression, etc.), and rather than selection to modulate cotranslational folding. Our results reveal a weak relationship between codon usage and protein structure, indicating that differences in selection on codon usage between structures are slight. In addition to the magnitude of differences in selection between protein structures being slight, the observed shifts appear to be idiosyncratic and largely codon-specific rather than systematic reversals in the nature of selection. Overall, our work demonstrates the statistical power and benefits of studying selective shifts on codon usage or other genomic features from an explicitly evolutionary approach. Limitations of this approach and future potential research avenues are discussed.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1995

A Biochemical Magic Frequency Based on the Reduction Level of Biological Carbon

We have calculated the average number of electron pairs required for the chemical reduction of carbon dioxide to biological carbon using (a) estimates of the reducing equivalents (electron pairs) needed to synthesize biomolecules from carbon dioxide, and (b) measurements of the molecular composition of different organisms. These calculations showed that the carbon of the Earth's biosphere is at the reduction level of formaldehyde that requires two electron pairs per carbon atom to be synthesized from carbon dioxide. This was also the reduction level of cellular carbon when fuel stored as lipid was not used in the estimate. Since this chemical characteristic of life is probably universal, it could be the one thing we know about other carbon-based life in the universe, and the one thing that other intelligent life knows about us. We believe that this common knowledge that biological carbon throughout the universe is at the reduction level of formaldehyde could lead to the selection of the 72.83814 GHz line of the 0, 0, 0 yields 1, 1, 1 rotational transition of formaldehyde as a frequency for interstellar communication.

Weber, Arthur L.↗

NASA NTRS1993

An improved linear ion trap physics package

This article describes an improvement in the architecture of the physics package used in the Linear Ion Trap (LIT)-based frequency standard recently developed at JPL. This new design is based on the observation that ions can be moved along the axis of an LIT by applied dc voltages. The state selection and interrogation region can be separated from the more critical microwave resonance region where the multiplied local oscillator signal is compared with the stable atomic transition. This separation relaxes many of the design constraints of the present units. Improvements include increased frequency stability and a substantial reduction in size, mass, and cost of the final frequency standard.

Prestage, J. D.↗

DOE OSTI2016

Magnonics: Selective heat production in nanocomposites with different magnetic nanoparticles

We theoretically study Ferromagnetic Resonance (FMR) in nanocomposites focusing on the analysis of heat production. It is demonstrated that at the FMR frequency, the temperature of nanoparticles can be raised at the rate of a few degrees per second at the electromagnetic (EM) irradiation power equivalent to the sunlight power. Thus, using FMR, one can initiate either surface or bulk reaction in the vicinity of a particular magnetic inclusion by purposely delivering heat to the nanoscale at a sufficiently fast rate. We examined the FMR features in (a) the film with a mixture of nanoparticles made of different materials; (b) the laminated films where each layer is filled with a particular type of magnetic nanoparticles. It is shown that different nanoparticles can be selectively heated at the different bands of EM spectrum. This effect opens up new exciting opportunities to control the microwave assisted chemical reactions depending on the heating rate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD

The calculation of disconnected diagram contributions to physical signals is a computationally expensive task in Lattice QCD. To extract the physical signal, the trace of the inverse Lattice Dirac operator, a large sparse matrix, must be stochastically estimated. Because the variance of the stochastic estimator is typically large, variance reduction techniques must be employed. Multilevel Monte Carlo (MLMC) methods reduce the variance of the trace estimator by utilizing a telescoping sequence of estimators. Frequency Splitting is one such method that uses a sequence of inverses of shifted operators to estimate the trace of the inverse lattice Dirac operator, however there is no a priori way to select the shifts that minimize the cost of the multilevel trace estimation. Here we present a sampling and interpolation scheme that is able to predict the variances associated with Frequency Splitting under displacements of the underlying space time lattice. The interpolation scheme is able to predict the variances to high accuracy and therefore chooses shifts that correspond to an approximate minimum of the cost for the trace estimation. We show that Frequency Splitting with the chosen shifts displays significant speedups over multigrid deflation, and that these shifts can be used for multiple configurations within the same ensemble with no penalty to performance.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2002

Performance of High-frequency High-flux Magnetic Cores at Cryogenic Temperatures

Three magnetic powder cores and one ferrite core, which are commonly used in inductor and transformer design for switch mode power supplies, were selected for investigation at cryogenic temperatures. The powder cores are Molypermalloy Core (MPC), High Flux Core (HFC), and Kool Mu Core (KMC). The performance of four inductors utilizing these cores has been evaluated as a function of temperature from 20 C to -180 C. All cores were wound with the same wire type and gauge to obtain equal values of inductance at room temperature. Each inductor was evaluated in terms of its inductance, quality (Q) factor, resistance, and dynamic hysteresis characteristics (B-H loop) as a function of temperature and frequency. Both sinusoidal and square wave excitations were used in these investigations. Measured data obtained on the inductance showed that both the MPC and the HFC cores maintain a constant inductance value, whereas with the KMC and ferrite core hold a steady value in inductance with frequency but decrease as temperature is decreased. All cores exhibited dependency, with varying degrees, in their quality factor and resistance on test frequency and temperature. Except for the ferrite, all cores exhibited good stability in the investigated properties with temperature as well as frequency. Details of the experimental procedures and test results are presented and discussed in the paper.

Gerber, Scott S.↗

DOE OSTI2023

Ultrasound Manipulation and Extrusion of Active Nanorods

Abstract Synthetic self‐propelled nano and microparticles have a growing appeal for targeted drug delivery, collective functionality, and manipulation at the nanoscale. However, it is challenging to control their positions and orientations under confinement, e.g., in microchannels, nozzles, and microcapillaries. This study reports on the synergistic effect of acoustic and flow‐induced focusing in microfluidic nozzles. In a microchannel with a nozzle, the balance between the acoustophoretic forces and the fluid drag due to streaming flows generated by the acoustic field controls the microparticle's dynamics. This study manipulates the positions and orientations of dispersed particles and dense clusters inside the channel at a fixed frequency by tuning the acoustic intensity. The main findings are: first, this study successfully manipulates the positions and orientations of individual particles and dense clusters inside the channel at a fixed frequency by tuning the acoustic intensity. Second, when an external flow is applied, the acoustic field separates and selectively extrudes shape‐anisotropic passive particles and self‐propelled active nanorods. Finally, the observed phenomena are explained by multiphysics finite‐element modeling. The results shed light on the control and extrusion of active particles in confined geometries and enable applications for acoustic cargo (e.g., drug) delivery, particle injection, and additive manufacturing via printed self‐propelled active particles.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Photodissociation and Infrared Spectroscopy of Uranium–Nitrogen Cation Complexes

Laser vaporization of uranium in a pulsed supersonic expansion of nitrogen is used to produce complexes of the form U + (N 2 ) n (n = 1–8). These ions are mass selected in a reflectron time-of-flight spectrometer and studied with visible and UV laser fixed-frequency photodissociation and with tunable infrared laser photodissociation spectroscopy. The dissociation patterns and spectroscopy of U + (N 2 ) n indicate that N 2 ligands are intact molecules and that there is no insertion chemistry resulting in UN + or NUN + . Fixed frequency photodissociation at 532 and 355 nm indicate that the U + –N 2 bond dissociation energy varies little with changing coordination. The photon energy and the number of ligands eliminated allow an estimate of the average U + –N 2 dissociation energy of 12 kcal/mol. Infrared bands are observed for these complexes near the N–N stretch vibration via elimination of N 2 molecules. These resonances are observed to be shifted about 130 cm–1 to the red from the free-N 2 frequency for complexes with n = 3–8. Density functional theory indicates that U + is most stable in the sextet state in these complexes and that N 2 molecules bind in end-on configurations. Furthermore, the fully coordinated complex is predicted to be U + (N 2 ) 8 , which has a cubic structure. The vibrational frequencies predicted by theory are consistently lower than those in the experiment, independent of the isomeric structure or spin state of the complexes. Despite its failure to reproduce the infrared spectra, theory provides an average U + –N 2 dissociation energy of 11.8 ± 0.5 kcal/mol, in good agreement with the value from the experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Separate the Role of Southern and Northern Extra‐Tropical Pacific in Tropical Pacific Climate Variability

Abstract Observational and modeling studies have elucidated the influential role played by the southern and northern extratropical Pacific (SEP and NEP) forcing in shaping dynamics of tropical Pacific climate variability. However, the relative importance of the NEP and SEP and the timescale on which they impact the tropics remain unclear. Using a linear inverse model (LIM) that selectively incorporates or excludes tropical‐extratropical coupling, we find a reduction in tropical interannual variability (∼40%) and low‐frequency (sub‐decadal to decadal) variability in the southeastern tropical Pacific region (∼70%) in the absence of SEP. Conversely, the absence of NEP yields no significant impact on tropical interannual variability but markedly diminishes low‐frequency variability in the central tropical Pacific region (∼70%). LIM and statistic diagnostics on CMIP6 models show the low‐frequency to total variability ratio in the tropical Pacific depending on their NEP and SEP representation. Models with more (less) low‐frequency power tend to show stronger NEP (SEP) dynamics.

Geology↗

DOE OSTI2017

Random access quantum information processors using multimode circuit quantum electrodynamics

Qubit connectivity is an important property of a quantum processor, with an ideal processor having random access—the ability of arbitrary qubit pairs to interact directly. This a challenge with superconducting circuits, as state-of-the-art architectures rely on only nearest-neighbor coupling. Here, we implement a random access superconducting quantum information processor, demonstrating universal operations on a nine-qubit memory, with a Josephson junction transmon circuit serving as the central processor. The quantum memory uses the eigenmodes of a linear array of coupled superconducting resonators. We selectively stimulate vacuum Rabi oscillations between the transmon and individual eigenmodes through parametric flux modulation of the transmon frequency. Utilizing these oscillations, we perform a universal set of quantum gates on 38 arbitrary pairs of modes and prepare multimode entangled states, all using only two control lines. We thus achieve hardware-efficient random access multi-qubit control in an architecture compatible with long-lived microwave cavity-based quantum memories.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Planck 2013 results. XI. All-sky model of thermal dust emission

This work introduces an all-sky model of dust emission from the Planck 353, 545, and 857 GHz, and IRAS 100 μm data. Using a modified blackbody fit to the data we present all-sky maps of the dust optical depth, temperature, and spectral index over the 353-3000 GHz range. This model is a good representation of the IRAS and Planck data at 5' between 353 and 3000 GHz (850 and 100 μm). It shows variations of the order of 30% compared with the widely-used model of Finkbeiner, Davis, and Schlegel. The Planck data allow us to estimate the dust temperature uniformly over the whole sky, down to an angular resolution of 5', providing an improved estimate of the dust optical depth compared to previous all-sky dust model, especially in high-contrast molecular regions where the dust temperature varies strongly at small scales in response to dust evolution, extinction, and/or local production of heating photons. An increase of the dust opacity at 353 GHz, τ 353 / N H , from the diffuse to the denser interstellar medium (ISM) is reported. It is associated with a decrease in the observed dust temperature, T obs , that could be due at least in part to the increased dust opacity. We also report an excess of dust emission at H I column densities lower than 10 20 cm -2 that could be the signature of dust in the warm ionized medium. In the diffuse ISM at high Galactic latitude, we report an anticorrelation between τ 353 / N H and T obs while the dust specific luminosity, i.e., the total dust emission integrated over frequency (the radiance) per hydrogen atom, stays about constant, confirming one of the Planck Early Results obtained on selected fields. This effect is compatible with the view that, in the diffuse ISM, T obs responds to spatial variations of the dust opacity, due to variations of dust properties, in addition to (small) variations of the radiation field strength. The indication is that in the diffuse high-latitude ISM τ 353 is not as reliable a tracer of dust column density as we conclude it is in molecular clouds where the correlation of τ 353 with dust extinction estimated using colour excess measurements on stars is strong. To estimate Galactic E(B-V) in extragalactic fields at high latitude we develop a new method based on the thermal dust radiance, instead of the dust optical depth, calibrated to E(B -V) using reddening measurements of quasars deduced from Sloan Digital Sky Survey data.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Ultrafast photo-induced nuclear relaxation of a conformationally disordered conjugated polymer probed with transient absorption and femtosecond stimulated Raman spectroscopies

A combination of transient absorption (TAS) and femtosecond stimulated Raman (FSRS) spectroscopies were used to interrogate the photo-induced nuclear relaxation dynamics of poly(3-cyclohexyl,4-methylthiophene) (PCMT). The large difference in inter-ring dihedral angles of ground and excited-state PCMT make it an ideal candidate for studying large-amplitude vibrational relaxation associated with exciton trapping. Spectral shifting in the S{sub 1} TA spectra on sub-ps timescales (110 ± 20 and 800 ± 100 fs) is similar to spectroscopic signatures of excited-state relaxation observed with related photoexcited conjugated polymers and which have been attributed to exciton localization and a combination of resonant energy transfer and torsional relaxation, respectively. Measurements made with both techniques reveal fast PCMT S{sub 1} decay and triplet formation (τ{sub S1} = 25–32 ps), which is similar to the excited-state dynamics of short oligothiophenes and highly twisted polyconjugated molecules. On ultrafast timescales FSRS of S{sub 1} PCMT offers a new perspective on the nuclear dynamics that underlie localization of excitons in photoexcited conjugated polymers: Spectral dynamics in the C=C stretching region (1400–1600 cm{sup −1}) include a red-shift of the in-phase C=C stretching frequency, as well as a change in the relative intensity of in-phase and out-of-phase stretch intensities on a timescale of ∼100 fs. Both changes indicate an ultrafast vibrational distortion that increases the conjugation length in the region of the localized excitation and are consistent with exciton self-localization or trapping. Wavelength-dependent excited-state FSRS measurements further demonstrate that the C=C stretching frequency provides a useful spectroscopic handle for interrogating the degree of delocalization in excited conjugated polymers given the selectivity achieved via resonance enhancement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Photogalvanic Effects in Surface States of Topological Insulators under Perpendicular Magnetic Fields

We present a theoretical study of the nonlinear magneto-optical shift conductivity in the surface states of the prototypical topological insulator Bi$_2$Se$_3$ under a perpendicular quantizing magnetic field. By describing the electronic states as Landau levels and using a perturbative approach, we derive the microscopic expression for the shift conductivity $\sigma^{(2);\alpha\beta\gamma}(-\omega,\omega)$, where $\alpha,\beta,\gamma=\pm$ stand for the circular polarization of light and $\omega$ is the light frequency; the spectra are further decomposed into contributions from the interband and intraband optical transitions, for which the selection rules are identified. Considering that the system possesses $C_3$ point group of symmetry, the nonzero components of the conductivity tensor are $\sigma^{(2);-++}=[\sigma^{(2);+--}]^\ast$. Therefore, a pure circularly polarized light generates zero shift current. In the clean limit, the conductivities are nonzero only for discrete photon energies because of the discrete Landau levels and energy conservation, and they become Lorentzian lineshapes with the inclusion of damping, which relaxes the condition of energy conservation. The dependence of the spectra on the damping parameters, the magnetic fields, and the chemical potentials is investigated in detail. Our results reveal that the shift current is highly tunable by the chemical potential and the magnetic field. Furthermore, these results underscore the potential of topological insulators for tunable, strong nonlinear magneto-optical applications.

Landau level↗

DOE OSTI2017

Systematic comparison of lncRNAs with protein coding mRNAs in population expression and their response to environmental change

Background: Long non-coding RNA (lncRNA) is a class of non-coding RNA with important regulatory roles in biological process of organisms. The systematic comparison of lncRNAs with protein coding mRNAs in population expression and their response to environmental change are still poorly understood. Here we identified 17,610 lncRNAs and calculated their expression levels based on RNA-seq of 80 individuals of Miscanthus lutarioriparius from two environments, the nearly native habitats and transplanted field, respectively. Results: LncRNAs had significantly higher expression diversity and lower expression frequency in population than protein coding mRNAs in both environments, which suggested that lncRNAs may experience more relaxed selection or divergent evolution in population compared with protein coding RNAs. In addition, the increase of expression diversity for lncRNAs was always significantly higher and the magnitude of fold change of expression in new stress environment was significantly larger than protein-coding mRNAs. These results suggested that lncRNAs may be more sensitive to environmental change than protein-coding mRNAs. Analysis of environment-robust and environment-specific lncRNA-mRNA co-expression network between two environments revealed the characterization of lncRNAs in response to environmental change. Furthermore, candidate lncRNAs contributing to water use efficiency (WUE) identified based on the WUE-lncRNA-mRNA co-expression network suggested the roles of lncRNAs in response to environmental change. Conclusion: Our study provided a comprehensive understanding of expression characterization of lncRNAs in population for M. lutarioriparius under field condition, which would be useful to explore the roles of lncRNAs and could accelerate the process of adaptation in new environment for many plants.

Expression diversity↗