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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Doping- and Strain-Dependent Electrolyte-Gate-Induced Perovskite to Brownmillerite Transformation in Epitaxial La 1– x Sr x CoO 3–δ Films

Much recent attention has focused on the voltage-driven reversible topotactic transformation between the ferromagnetic metallic perovskite (P) SrCoO 3-δ and oxygen-vacancy-ordered antiferromagnetic insulating brownmillerite (BM) SrCoO 2.5 . This is emerging as a paradigmatic example of the power of electrochemical gating (using, e.g., ionic liquids/gels), the wide modulation of electronic, magnetic, and optical properties generating clear application potential. SrCoO 3 films are challenging with respect to stability, however, and there has been little exploration of alternate compositions. Here, we present the first study of ion-gel-gating-induced P. BM transformations across almost the entire La 1-x SrxCoO 3 phase diagram (0 ≤ x ≤ 0.70), under both tensile and compressive epitaxial strain. Electronic transport, magnetometry, and operando synchrotron X-ray diffraction establish that voltage-induced P → BM transformations are possible at essentially all x, including x ≤ 0.50, where both P and BM phases are highly stable. Under small compressive strain, the transformation threshold voltage decreases from approximately +2.7 V at x = 0 to negligible at x = 0.70. Both larger compressive strain and tensile strain induce further threshold voltage lowering, particularly at low x. The P → BM threshold voltage is thus tunable, via both composition and strain. At x = 0.50, voltage-controlled ferromagnetism, transport, and optical transmittance are then demonstrated, achieving Curie temperature and resistivity modulations of similar to 220 K and at least 5 orders of magnitude, respectively, and enabling estimation of the voltage-dependent Co valence. The results are analyzed in the context of doping- and strain-dependent oxygen vacancy formation energies and diffusion coefficients, establishing that it is thermodynamic factors, not kinetics, that underpin the decrease in the threshold voltage with x, that is, with increasing formal Co valence. These findings substantially advance the practical and mechanistic understanding of this voltage-driven transformation, with fundamental and technological implications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2013

Battery Charge Equalizer with Transformer Array

High-power batteries generally consist of a series connection of many cells or cell banks. In order to maintain high performance over battery life, it is desirable to keep the state of charge of all the cell banks equal. A method provides individual charging for battery cells in a large, high-voltage battery array with a minimum number of transformers while maintaining reasonable efficiency. This is designed to augment a simple highcurrent charger that supplies the main charge energy. The innovation will form part of a larger battery charge system. It consists of a transformer array connected to the battery array through rectification and filtering circuits. The transformer array is connected to a drive circuit and a timing and control circuit that allow individual battery cells or cell banks to be charged. The timing circuit and control circuit connect to a charge controller that uses battery instrumentation to determine which battery bank to charge. It is important to note that the innovation can charge an individual cell bank at the same time that the main battery charger is charging the high-voltage battery. The fact that the battery cell banks are at a non-zero voltage, and that they are all at similar voltages, can be used to allow charging of individual cell banks. A set of transformers can be connected with secondary windings in series to make weighted sums of the voltages on the primaries.

Davies, Francis↗

DOE OSTI2025

Order-to-disorder transition due to entropy in layered and 2D carbides

In compositionally complex materials, there is controversy on the effect of enthalpy versus entropy on the structure and short-range ordering in so-called high-entropy materials. Here, to help address this controversy, we synthesized and probed 40 M 4 AlC 3 layered carbide phases containing two to nine metals and found that short-range ordering from enthalpy was present until the entropy increased enough to achieve complete disordering of the transition metals in their atomic planes. We transformed all of these layered carbide phases into two-dimensional (2D) sheets and showed the effects of the order versus disorder on their surface properties and electronic behavior. This study suggests the key effect that the competition between enthalpy and entropy has on short-range order in multicompositional materials.

Wyatt, Brian C. [Purdue Univ., West Lafayette, IN ↗

DOE OSTI2023

Modification of Lie's transform perturbation theory for charged particle motion in a magnetic field

It is pointed out that the conventional Lie transform perturbation theory for the guiding center motion of charged particles in a magnetic field needs to be modified for ordering inconsistency. There are two reasons. First, the ordering difference between the temporal variation of gyrophase and that of the other phase space coordinates needs to be taken into account. Second, it is also important to note that the parametric limit of the derivative of a function is not equivalent to the derivative of the limit function. When these facts are taken into account, the near identity transformation rule for one form related to the Lagrangian is modified. With the modified near identity transformation rule, the drift motion of charged particles can be described in the first order, instead of the second order and beyond through a tedious expansion process as in the conventional formulation. Here, this resolves the discrepancy between the direct and Lie transform treatments in the Lagrangian perturbation theory for charged particle motion in a magnetic field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1993

A piezoelectric transformer

This work describes a modeling and design method whereby a piezoelectric system is formulated by two sets of second-order equations, one for the mechanical system, and the other for the electrical system, coupled through the piezoelectric effect. The solution to this electromechanical coupled system gives a physical interpretation of the piezoelectric effect as a piezoelectric transformer that is a part of the piezoelectric system, which transfers the applied mechanical force into a force-controlled current source, and short circuit mechanical compliance into capacitance. It also transfers the voltage source into a voltage-controlled relative velocity input, and free motional capacitance into mechanical compliance. The formulation and interpretation simplify the modeling of smart structures and lead to physical insight that aids the designer. Due to its physical realization, the smart structural system can be unconditional stable and effectively control responses. This new concept has been demonstrated in three numerical examples for a simple piezoelectric system.

Won, C. C.↗

NASA NTRS1997

Towards High-Assurance High-Performance Program Synthesis

Domain-specific automatic program synthesis tools, also called application generators, are playing an ever-increasing role in software development. However, high-performance application generators require difficult manual construction, and are very difficult to verify correct. This paper describes research and an implemented system that transforms program synthesis tools based on deductive synthesis into high-performance application generators. Deductive synthesis uses theorem-proving to construct solutions when given problem specifications. The verification condition for a deductive synthesis tool is essentially the soundness of the implemented inference rules. Theory Operationalization for Program Synthesis (TOPS) synergistically combines reformulation, automated mathematical classification, and compilation through partial deduction to decision procedures. It transforms general-purpose deductive synthesis, with exponential performance, into efficient special-purpose deductive synthesis, with near-linear performance. This paper describes our experience with and empirical results of PD(TH) theory-based partial deduction - in which partial deduction of a set of first-order formulae is performed within the context of a background theory. The implemented TOPS system currently performs a special variant of PD(TH) in which the compilation process results in the transformation of a set of first order formulae into the theory of an instantiated library decision procedure augmented by a compiled unit theory.

Lowry, Michael↗

NASA NTRS2004

Reduced Order Methods for Prediction of Thermal-Acoustic Fatigue

The goal of this investigation is to assess the quality of high-cycle-fatigue life estimation via a reduced order method, for structures undergoing random nonlinear vibrations in a presence of thermal loading. Modal reduction is performed with several different suites of basis functions. After numerically solving the reduced order system equations of motion, the physical displacement time history is obtained by an inverse transformation and stresses are recovered. Stress ranges obtained through the rainflow counting procedure are used in a linear damage accumulation method to yield fatigue estimates. Fatigue life estimates obtained using various basis functions in the reduced order method are compared with those obtained from numerical simulation in physical degrees-of-freedom.

Przekop, A.↗

NASA NTRS2006

A Nonlinear Reduced Order Method for Prediction of Acoustic Fatigue

The goal of this investigation is to assess the quality of high-cycle-fatigue life estimation via a reduced order method, for structures undergoing geometrically nonlinear random vibrations. Modal reduction is performed with several different suites of basis functions. After numerically solving the reduced order system equations of motion, the physical displacement time history is obtained by an inverse transformation and stresses are recovered. Stress ranges obtained through the rainflow counting procedure are used in a linear damage accumulation method to yield fatigue estimates. Fatigue life estimates obtained using various basis functions in the reduced order method are compared with those obtained from numerical simulation in physical degrees-of-freedom.

Przekop, Adam↗

DOE OSTI2021

System and method for implementing a zero-sequence current filter for a three-phase power system

In a three-phase, four-wire electrical distribution system, a zig-zag transformer and at least one Cascade Multilevel Modular Inverter (CMMI) is coupled between the distribution system and the neutral. A controller modulates the states of the H-bridges in the CMMI to build an AC waveform. The voltage is chosen by the controller in order to control an equivalent impedance that draws an appropriate neutral current through the transformer. This neutral current is generally chosen to cancel the neutral current sensed in the line. The chosen neutral current may be based on a remotely sensed imbalance, rather than on a local value, determined by the power utility as a critical load point in the system. The desired injection current is then translated by the controller into a desired zero-sequence reactive impedance, based on measurement of the local terminal voltage, allowing the controller to regulate the current without generating or consuming real power.

Benavides, Nicholas↗

NASA NTRS1979

A comparison of theoretical and experimental video compression designs

This paper compares theoretical and experimental picture compression designs, for images processed in 8 x 8 blocks using the Walsh-Hadamard transform (WHT). The optimum picture compression design is well known, if the mean-square error (mse) is used as the measure of distortion, and if it is assumed that the video process is a stationary first-order Markov process with a Gaussian distribution. This theoretical design gives useful results when the transform processing is done on full pictures, but gives inferior results (relative to empirical design) when transform processing is done on small 8 x 8 blocks. The use of non-Gaussian distributions for the transform components fails to improve this poor performance, which is due to the nonstationary nature of the video process. An experimentally based design procedure, which considers nonstationarity, yields significantly improved mse and subjective performance.

Jones, H. W., Jr.↗

DOE OSTI2023

Ultrahigh-Capacity Rocksalt Cathodes Enabled by Cycling-Activated Structural Changes

Mn-redox-based oxides and oxyfluorides are considered the most promising earth-abundant high-energy cathode materials for next-generation lithium-ion batteries. While high capacities are obtained in high-Mn content cathodes such as Li- and Mn-rich layered and spinel-type materials, local structure changes and structural distortions ( often lead to voltage fade, capacity decay, and impedance rise, resulting in unacceptable electrochemical performance upon cycling. In the present study, structural transformations that exploit the high capacity of Mn-rich oxyfluorides while enabling stable cycling, in stark contrast to commonly observed structural changes that result in rapid performance degradation, are reported. Here, it is shown that upon cycling of a cation-disordered rocksalt (DRX) cathode (Li 1.1 Mn 0.8 Ti 0.1 O 1.9 F 0.1 , an ultrahigh capacity of ≈320 mAh g –1 (energy density of ≈900 Wh kg –1 ) can be obtained through dynamic structural rearrangements upon cycling , along with a unique voltage profile evolution and capacity rise. At high voltage, the presence of Mn 4+ and Li + vacancies promotes local cation ordering, leading to the formation of domains of a “δ phase” within the disordered framework. On deep discharge, Mn 4+ reduction, along with Li + insertion transform the structure to a partially ordered DRX phase with a β'-LiFeO 2 -type arrangement. At the nanoscale, domains of the in situ formed phases are randomly oriented, allowing highly reversible structural changes and stable electrochemical cycling. These new insights not only help explain the superior electrochemical performance of high-Mn DRXbut also provide guidance for the future development of Mn-based, high-energy density oxide, and oxyfluoride cathode materials.

25 ENERGY STORAGE↗

DOE OSTI2022

Improved high-throughput screening technique to rapidly isolate Chlamydomonas transformants expressing recombinant proteins

Abstract The single-celled eukaryotic green alga Chlamydomonas reinhardtii has long been a model system for developing genetic tools for algae, and is also considered a potential platform for the production of high-value recombinant proteins. Identifying transformants with high levels of recombinant protein expression has been a challenge in this organism, as random integration of transgenes into the nuclear genome leads to low frequency of cell lines with high gene expression. Here, we describe the design of an optimized vector for the expression of recombinant proteins in Chlamydomonas , that when transformed and screened using a dual antibiotic selection, followed by screening using fluorescence activated cell sorting (FACS), permits rapid identification and isolation of microalgal transformants with high expression of a recombinant protein. This process greatly reduces the time required for the screening process, and can produce large populations of recombinant algae transformants with between 60 and 100% of cells producing the recombinant protein of interest, in as little as 3 weeks, that can then be used for whole population sequencing or individual clone analysis. Utilizing this new vector and high-throughput screening (HTS) process resulted in an order of magnitude improvement over existing methods, which normally produced under 1% of algae transformants expressing the protein of interest. This process can be applied to other algal strains and recombinant proteins to enhance screening efficiency, thereby speeding up the discovery and development of algal-derived recombinant protein products. Key points • A protein expression vector using double-antibiotic resistance genes was designed • Double antibiotic selection causes fewer colonies with more positive for phenotype • Coupling the new vector with FACS improves microalgal screening efficiency > 60%

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1973

A reduced adaptive observer for multivariable systems

An adaptive observer for multivariable systems is presented for which the dynamic order of the observer is reduced, subject to mild restrictions. The observer structure depends directly upon the multivariable structure of the system rather than a transformation to a single-output system. The number of adaptive gains is at most the sum of the order of the system and the number of input parameters being adapted. Moreover, for the relatively frequent specific cases for which the number of required adaptive gains is less than the sum of system order and input parameters, the number of these gains is easily determined by inspection of the system structure. This adaptive observer possesses all the properties ascribed to the single-input single-output adpative observer. Like the other adaptive observers some restriction is required of the allowable system command input to guarantee convergence of the adaptive algorithm, but the restriction is more lenient than that required by the full-order multivariable observer. This reduced observer is not restricted to cycle systems.

Carroll, R. L.↗

DOE OSTI2024

Massive twistor worldline in electromagnetic fields

We study the (ambi-)twistor model for spinning particles interacting via electromagnetic field, as a toy model for studying classical dynamics of gravitating bodies including effects of both spins to all orders. We compute the momentum kick and spin kick up to one-loop order and show precisely how they are encoded in the classical eikonal. The all-orders-in-spin effects are encoded as a dynamical implementation of the Newman-Janis shift, and we find that the expansion in both spins can be resummed to simple expressions in special kinematic configurations, at least up to one-loop order. We confirm that the classical eikonal can be understood as the generator of canonical transformations that map the in-states of a scattering process to the out-states. We also remark that cut contributions for converting worldline propagators from time-symmetric to retarded amount to the iterated action of the leading eikonal at one-loop order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2004

BASS Code Development

The BASS computational aeroacoustic code solves the fully nonlinear Euler equations in the time domain in two-dimensions. The acoustic response of the stator is determined simultaneously for the first three harmonics of the convected vortical gust of the rotor. The spatial mode generation, propagation and decay characteristics are predicted by assuming the acoustic field away from the stator can be represented as a uniform flow with small harmonic perturbations superimposed. The computed field is then decomposed using a joint temporal-spatial transform to determine the wave amplitudes as a function of rotor harmonic and spatial mode order. This report details the following technical aspects of the computations and analysis. 1) the BASS computational technique; 2) the application of periodic time shifted boundary conditions; 3) the linear theory aspects unique to rotor-stator interactions; and 4) the joint spatial-temporal transform. The computational results presented herein are twofold. In each case, the acoustic response of the stator is determined simultaneously for the first three harmonics of the convected vortical gust of the rotor. The fan under consideration here like modern fans is cut-off at +, and propagating acoustic waves are only expected at 2BPF and 3BPF. In the first case, the computations showed excellent agreement with linear theory predictions. The frequency and spatial mode order of acoustic field was computed and found consistent with linear theory. Further, the propagation of the generated modes was also correctly predicted. The upstream going waves propagated from the domain without reflection from the in ow boundary. However, reflections from the out ow boundary were noticed. The amplitude of the reflected wave was approximately 5% of the incident wave. The second set of computations were used to determine the influence of steady loading on the generated noise. Toward this end, the acoustic response was determined with three steady loading conditions: design, low-loading, high-loading. The overall trend showed significant (approximately 10 dB) increases in the generated noise for the highly loaded stator.

Sawyer, Scott↗

NASA NTRS2002

Chemical constraints governing the origin of metabolism: the thermodynamic landscape of carbon group transformations under mild aqueous conditions

The thermodynamics of organic chemistry under mild aqueous conditions was examined in order to begin to understand its influence on the structure and operation of metabolism and its antecedents. Free energies (deltaG) were estimated for four types of reactions of biochemical importance carbon-carbon bond cleavage and synthesis, hydrogen transfer between carbon groups, dehydration of alcohol groups, and aldo-keto isomerization. The energies were calculated for mainly aliphatic groups composed of carbon, hydrogen, and oxygen. The energy values showed (1) that generally when carbon-carbon bond cleavage involves groups from different functional group classes (i.e., carboxylic acids, carbonyl groups, alcohols, and hydrocarbons), the transfer of the shared electron-pair to the more reduced carbon group is energetically favored over transfer to the more oxidized carbon group, and (2) that the energy of carbon-carbon bond transformation is primarily determined by the functional group class of the group that changes oxidation state in the reaction (i.e., the functional group class of the group that donates the shared electron-pair during cleavage, or that accepts the incipient shared electron-pair during synthesis). In contrast, the energy of hydrogen transfer between carbon groups is determined by the functional group class of both the hydrogen-donor group and the hydrogen-acceptor group. From these and other observations we concluded that the chemistry involved in the origin of metabolism (and to a lesser degree modern metabolism) was strongly constrained by (1) the limited redox-based transformation energy of organic substrates that is readily dissipated in a few energetically favorable irreversible reactions; (2) the energy dominance of a few transformation half-reactions that determines whether carbon-carbon bond transformation (cleavage or synthesis) is energetically favorable (deltaG < -3.5 kcal/mol), reversible (deltaG between +/-3.5 kcal/mol), or unfavorable (deltaG > +3.5 kcal/mol); and (3) the dependence of carbon group transformation energy on the functional group class (i.e., oxidation state) of participating groups that in turn is contingent on prior reactions and precursors in the synthetic pathway.

Carbon/chemistry/metabolism↗

DOE OSTI2026

Fast Fourier transform evaluation of the Fresnel integral for gravitational-wave lensing

Gravitational waves (GWs) exhibit wave-optics effects when their wavelength is comparable to the scale of the gravitational lens. This may occur in lensing from galactic subhalos in GWs emitted by binary black-hole mergers and is gaining interest as a novel probe of dark matter. Predictions for observables in these cases ultimately rely on evaluating a Fresnel integral that quantifies the effect of lensing on the amplitude of a GW at a given frequency. However, numerical evaluation of this Fresnel integral is tricky, and several algorithms and publicly available codes that implement it have been developed. Here, we show that the dependence of this integral on the lens position can be written as a two-dimensional Fourier transform. Modern FFT techniques then enable rapid evaluation at all-sky positions simultaneously for general lenses without symmetry. Vectorization of FFT routines allows for derivatives with respect to model parameters to be obtained with only incremental additional computational cost. If the lens is axisymmetric, further speedups can be achieved with recently developed techniques for nonuniform fast Hankel transforms. To demonstrate, we make available Fresnel Integral Optimization with Nonuniform Transforms (fiona), an efficient and accurate code that is significantly faster than current methods for dense source grids, reaching 2 orders of magnitude speedups for ∼10 6 GW-emitting points. As part of FIONA , we developed code that provides vectorized nonuniform fast Hankel transforms that may have other uses (e.g., calculation of cosmological two-point correlation functions) beyond those considered here.

dark matter↗

NASA NTRS1995

Plasmid acquisition in microgravity

In microgravity, bacteria often show an increased resistance to antibiotics. Bacteria can develop resistance to an antibiotic after transformation, the acquisition of DNA, usually in the form of a plasmid containing a gene for resistance to one or more antibiotics. In order to study the capacity of bacteria to become resistant to antibiotics in microgravity, we have modified the standard protocol for transformation of Escherichia coli for use in the NASA-flight-certified hardware package, The Fluid Processing Apparatus (FPA). Here we report on the ability of E. coli to remain competent for long periods of time at temperatures that are readily available on the Space Shuttle, and present some preliminary flight results.

Juergensmeyer, Margaret A.↗