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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Increased Crystal Field Drives Intermediate Coupling and Minimizes Decoherence in Tetravalent Praseodymium Qubits

Crystal field (CF) control of rare-earth (RE) ions has been employed to minimize decoherence in qubits and to enhance the effective barrier of single-molecule magnets. The CF approach has been focused on the effects of symmetry on dynamic magnetic properties. Herein, the magnitude of the CF is increased via control of the RE oxidation state. The enhanced 4f metal-ligand covalency in Pr 4+ gives rise to CF energy scales that compete with the spin-orbit coupling of Pr 4+ and thereby shifts the paradigm from the ionic ζ SOC >> V CF limit, used to describe trivalent RE-ion, to an intermediate coupling (IC) regime. We examine Pr 4+ -doped perovskite oxide lattices (BaSnO 3 and BaZrO 3 ). These systems are defined by IC which quenches orbital angular momentum. Therefore, the single-ion spin-orbit coupled states in Pr 4+ can be chemically tuned. We demonstrate a relatively large hyperfine interaction of A iso = 1800 MHz for Pr 4+ , coherent manipulation of the spin with Q M = 2Ω R $T$ m reaching up to ~400 for 0.1Pr:BSO at $T$ = 5 K, and significant improvement of the temperature at which $T$ m is limited by $T$ 1 ($T$* = 60 K) compared to other RE ion qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Antibacterial Drug Leads: DNA and Enzyme Multitargeting

Here, we report the results of an investigation of the activity of a series of amidine and bisamidine compounds against Staphylococcus aureus and Escherichia coli. The most active compounds bound to an AT-rich DNA dodecamer (CGCGAATTCGCG) 2 and using DSC were found to increase the melting transition by up to 24 °C. Several compounds also inhibited undecaprenyl diphosphate synthase (UPPS) with IC 50 values of 100–500 nM, and we found good correlations (R 2 = 0.89, S. aureus; R 2 = 0.79, E. coli) between experimental and predicted cell growth inhibition by using DNA ΔT m and UPPS IC 50 experimental results together with one computed descriptor. Finally, we also solved the structures of three bisamidines binding to DNA as well as three UPPS structures. Overall, the results are of general interest in the context of the development of resistance-resistant antibiotics that involve multitargeting.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

The June 2012 North American Derecho: A Testbed for Evaluating Regional and Global Climate Modeling Systems at Cloud‐Resolving Scales

Abstract In this paper, we introduce a testbed for evaluating and comparing climate modeling systems at cloud resolving scales using hindcasts of the June 2012 North American derecho. To demonstrate its utility for model intercomparison, the testbed is applied to two models: the regionally‐refined Simple Cloud‐Resolving E3SM Atmosphere Model (SCREAM) at 6.5, 3.25 and 1.625 km grid spacing and the Weather Research and Forecasting (WRF) model with 3.2 and 1.6 km grid spacing. We find the simulation results to be highly sensitive to the initial conditions (ICs), initialization time, and model configurations, with ICs from the Rapid Refresh producing the best simulation. Significant improvement is identified in both models as horizontal grid spacing is refined. While a propagation delay of approximately 2 hr is found in both models, SCREAM at 1.625 km simulates the observed bow echo structure of the derecho well and predicts strong surface gusts that exceed 30 m/s. In comparison, WRF has difficulty producing surface wind over 25 m/s, with wind gusts in WRF 42%–46% lower than in SCREAM. However, WRF has a lower bias in simulating cloud top temperature and extent, but overestimates precipitation intensity. Both models reproduce the observed outgoing longwave radiation spatial patterns well (Pearson correlation >0.88), but, compared with NEXRAD observations, simulate generally larger areas of composite radar reflectivity >40 dBZ and underestimate the precipitating area by ∼47%.

2012 North American derecho↗
DOE OSTI2024

Observational Constraints on the Spatial Effect of Greenness and Canopy Cover on Urban Heat in a Major Midlatitude City

Abstract Urban heat stress is a critical issue, particularly in cities where dense infrastructure and limited green space exacerbate temperature extremes. This study investigates the impact of greenery (EVI2), canopy cover (CC), impervious cover (IC), and water bodies on heat index in Chicago using high‐resolution data from the Heat Watch campaign. We find that EVI2, CC and proximity to water body significantly reduce heat while IC increases heat, particularly in the afternoon when solar radiation is intense. Additionally, the effective radius that land cover impacts heat is smaller in the afternoon. The combined effect analysis indicates that enhancing total greenness, not just canopy cover, is the most effective strategy to reduce heat. This study underscores the importance of strategic vegetation management, highlighting the critical role of integrated approaches in reducing urban heat.

Lee, Jangho↗
DOE OSTI2015

Broad and potent HIV-1 neutralization by a human antibody that binds the gp41-gp120 interface

The isolation of human monoclonal antibodies is providing important insights into the specificities that underlie broad neutralization of HIV-1 (reviewed in ref. 1). Here we report a broad and extremely potent HIV-specific monoclonal antibody, termed 35O22, which binds a novel HIV-1 envelope glycoprotein (Env) epitope. 35O22 neutralized 62% of 181 pseudoviruses with a half-maximum inhibitory concentration (IC 50 ) <50 μg ml -1 . The median IC 50 of neutralized viruses was 0.033 μg ml -1 , among the most potent thus far described. 35O22 did not bind monomeric forms of Env tested, but did bind the trimeric BG505 SOSIP.664. Mutagenesis and a reconstruction by negative-stain electron microscopy of the Fab in complex with trimer revealed that it bound to a conserved epitope, which stretched across gp120 and gp41. The specificity of 35O22 represents a novel site of vulnerability on HIV Env, which serum analysis indicates to be commonly elicited by natural infection. Binding to this new site of vulnerability may thus be an important complement to current monoclonal-antibody-based approaches to immunotherapies, prophylaxis and vaccine design.

Huang, Jinghe↗
DOE OSTI2017

Identification of a CARM1 Inhibitor with Potent In Vitro and In Vivo Activity in Preclinical Models of Multiple Myeloma

CARM1 is an arginine methyltransferase with diverse histone and non-histone substrates implicated in the regulation of cellular processes including transcriptional co-activation and RNA processing. CARM1 overexpression has been reported in multiple cancer types and has been shown to modulate oncogenic pathways in in vitro studies. Detailed understanding of the mechanism of action of CARM1 in oncogenesis has been limited by a lack of selective tool compounds, particularly for in vivo studies. We describe the identification and characterization of, to our knowledge, the first potent and selective inhibitor of CARM1 that exhibits anti-proliferative effects both in vitro and in vivo and, to our knowledge, the first demonstration of a role for CARM1 in multiple myeloma (MM). EZM2302 (GSK3359088) is an inhibitor of CARM1 enzymatic activity in biochemical assays (IC 50 = 6 nM) with broad selectivity against other histone methyltransferases. Treatment of MM cell lines with EZM2302 leads to inhibition of PABP1 and SMB methylation and cell stasis with IC 50 values in the nanomolar range. Oral dosing of EZM2302 demonstrates dose-dependent in vivo CARM1 inhibition and anti-tumor activity in an MM xenograft model. As a result, EZM2302 is a validated chemical probe suitable for further understanding the biological role CARM1 plays in cancer and other diseases.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Over 15 MA/cm2 of critical current density in 4.8 µm thick, Zr-doped (Gd,Y)Ba2Cu3Ox superconductor at 30 K, 3T

An Advanced MOCVD (A-MOCVD) reactor was used to deposit 4.8µm thick (Gd,Y)BaCuO tapes with 15mol% Zr addition in a single pass. A record-high critical current density (Jc) of 15.11MA/cm2 has been measured over a bridge at 30K, 3T, corresponding to an equivalent (Ic) value of 8705A/12mm width. This corresponds to a lift factor in critical current of ~11 which is the highest ever reported to the best of author’s knowledge. The measured critical current densities at 3T (B||c) and 30, 40 and 50K, respectively, are 15.11, 9.70 and 6.26 MA/cm2, corresponding to equivalent Ic values of 8705, 5586 and 3606A/12mm and engineering current densities (Je) of 7068, 4535 and 2928A/mm2. The engineering current density (Je) at 40K, 3T is 7 times higher than that of the commercial HTS tapes available with 7.5mol% Zr addition. Such record-high performance in thick flms (>1µm) is a clear demonstration that growing thick REBCO flms with high critical current density (Jc) is possible, contrary to the usual fndings of strong Jc degradation with flm thickness. This achievement was possible due to a combination of strong temperature control and uniform laminar fow achieved in the A-MOCVD system, coupled with optimization of BaZrO3 nanorod growth parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A potent and selective C-11 labeled PET tracer for imaging sphingosine-1-phosphate receptor 2 in the CNS demonstrates sexually dimorphic expression

Sphingosine-1-phosphate receptor 2 (S1PR2) plays an essential role in regulating blood–brain barrier (BBB) function during demyelinating central nervous system (CNS) disease. Increased expression of S1PR2 occurs in disease-susceptible CNS regions of female versus male SJL mice and in female multiple sclerosis (MS) patients. Here we reported a novel sensitive and noninvasive method to quantitatively assess S1PR2 expression using a C-11 labeled positron emission tomography (PET) radioligand [ 11 C]5a for in vivo imaging of S1PR2. Compound 5a exhibited promising binding potency with IC 50 value of 9.52 ± 0.70 nM for S1PR2 and high selectivity over S1PR1 and S1PR3 (both IC 50 > 1000 nM). [ 11 C]5a was synthesized in ~40 min with radiochemistry yield of 20 ± 5% (decayed to the end of bombardment (EOB), n > 10), specific activity of 222–370 GBq μmol –1 (decayed to EOB). The biodistribution study in female SJL mice showed the cerebellar uptake of radioactivity at 30 min of post-injection of [11C]5a was increased by Cyclosporin A (CsA) pretreatment (from 0.84 ± 0.04 ID% per g to 2.21 ± 0.21 ID% per g, n = 4, p < 0.01). MicroPET data revealed that naive female SJL mice exhibited higher cerebellar uptake compared with males following CsA pretreatment (standardized uptake values (SUV) 0.58 ± 0.16 vs. 0.48 ± 0.12 at 30 min of post-injection, n = 4, p < 0.05), which was consistent with the autoradiographic results. This data suggested that [ 11 C]5a had the capability in assessing the sexual dimorphism of S1PR2 expression in the cerebellum of the SJL mice. Furthermore, the development of radioligands for S1PR2 to identify a clinical suitable S1PR2 PET radiotracer, may greatly contribute to investigating sex differences in S1PR2 expression that contribute to MS subtype and disease progression and it will be very useful for detecting MS in early state and differentiating MS with other patients with neuroinflammatory diseases, and monitoring the efficacy of treating diseases using S1PR2 antagonism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Syntheses and in vitro biological evaluation of S1PR1 ligands and PET studies of four F-18 labeled radiotracers in the brain of nonhuman primates

A series of seventeen hydroxyl-containing sphingosine 1-phosphate receptor 1 (S1PR1) ligands were designed and synthesized. Their in vitro binding potencies were determined using [ 32 P]S1P competitive binding assays. Compounds 10a, 17a, 17b, and 24 exhibited high S1PR1 binding potencies with IC 50 values ranging from 3.9 to 15.4 nM and also displayed high selectivity for S1PR1 over other S1P receptor subtypes (IC 50 > 1000 nM for S1PR2–5). The most potent compounds 10a, 17a, 17b, and 24 were subsequently radiolabeled with F-18 in high yields and purities. MicroPET studies in cynomolgus macaque showed that [ 18 F]10a, [ 18 F]17a, and [ 18 F]17b but not [18F]24 crossed the blood brain barrier and had high initial brain uptake. Further validation of [ 18 F]10a, [ 18 F]17a, and [ 18 F]17b in preclinical models of neuroinflammation is warranted to identify a suitable PET radioligand to quantify S1PR1 expression in vivo as a metric of an inflammatory response.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mitochondria-targeting fluorescent molecules for high efficiency cancer growth inhibition and imaging

Fluorescent mitochondria-accumulating delocalized lipophilic cations (DLCs) for cancer therapy have drawn significant attention in the field of cancer theranostics. One of the most promising fluorescent DLCs, F16, can selectively trigger the apoptosis and necrosis of cancer cells, making it an attractive targeted theranostic drug candidate. However, it suffers from low clinical translation potential, largely due to its inefficient anti-cancer activity (IC 50 in the μM range) and poorly understood structure–activity relationship (SAR). In this report, eleven indole-ring substituted F16 derivatives (F16s) were synthesized. Among these derivatives, 5BMF was identified as a highly effective theranostic agent, with in vitro studies showing a low IC 50 of ~50 nM (to H2228 cells) and high cancer to normal cell selectivity index of 225. In vivo studies revealed that tumors treated with 5BMF were significantly suppressed (almost no growth over the treatment period) compared to the PBS treated control group, and also no obvious toxicity to mice was found. In addition, the tumor imaging capability of 5BMF was demonstrated by in vivo fluorescence imaging. Finally, we report for the first time a proposed SAR for F16 DLCs. Our work lays down a solid foundation for translating 5BMF into a novel and highly promising DLC for cancer theranostics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Normative Ranges for, and Interrater Reliability of, Rotational Vestibular and Balance Tests in U.S. Military Service Members and Veterans

Purpose: The objectives of this study were to (a) describe normative ranges—expressed as reference intervals (RIs)—for vestibular and balance function tests in a cohort of Service Members and Veterans (SMVs) and (b) to describe the interrater reliability of these tests. Method: As part of the Defense and Veterans Brain Injury Center (DVBIC)/Traumatic Brain Injury Center of Excellence 15-year Longitudinal Traumatic Brain Injury (TBI) Study, participants completed the following: vestibulo-ocular reflex suppression, visual-vestibular enhancement, subjective visual vertical, subjective visual horizontal, sinusoidal harmonic acceleration, the computerized rotational head impulse test (crHIT), and the sensory organization test. RIs were calculated using nonparametric methods and interrater reliability was assessed using intraclass correlation coefficients between three audiologists who independently reviewed and cleaned the data. Results: Reference populations for each outcome measure comprised 40 to 72 individuals, 19 to 61 years of age, who served either as noninjured controls (NIC) or injured controls (IC) in the 15-year study; none had a history of TBI or blast exposure. A subset of 15 SMVs from the NIC, IC, and TBI groups were included in the interrater reliability calculations. RIs are reported for 27 outcome measures from the seven rotational vestibular and balance tests. Interrater reliability was considered excellent for all tests except the crHIT, which was found to have good interrater reliability. Conclusion: This study provides clinicians and scientists with important information regarding normative ranges and interrater reliability for rotational vestibular and balance tests in SMVs.

Audiology & Speech-Language Pathology↗
DOE OSTI2019

Search for transient optical counterparts to high-energy IceCube neutrinos with Pan-STARRS1

In order to identify the sources of the observed diffuse high-energy neutrino flux, it is crucial to discover their electromagnetic counterparts. To increase the sensitivity of detecting counterparts of transient or variable sources by telescopes with a limited field of view, IceCube began releasing alerts for single high-energy ( E ν > 60 TeV) neutrino detections with sky localisation regions of order 1° radius in 2016. We used Pan-STARRS1 to follow-up five of these alerts during 2016–2017 to search for any optical transients that may be related to the neutrinos. Typically 10–20 faint ( m i P1 ≲ 22.5 mag) extragalactic transients are found within the Pan-STARRS1 footprints and are generally consistent with being unrelated field supernovae (SNe) and AGN. We looked for unusual properties of the detected transients, such as temporal coincidence of explosion epoch with the IceCube timestamp, or other peculiar light curve and physical properties. We found only one transient that had properties worthy of a specific follow-up. In the Pan-STARRS1 imaging for IceCube-160427A (probability to be of astrophysical origin of ~50%), we found a SN PS16cgx, located at 10.0' from the nominal IceCube direction. Spectroscopic observations of PS16cgx showed that it was an H-poor SN at redshift z = 0.2895 ± 0.0001. The spectra and light curve resemble some high-energy Type Ic SNe, raising the possibility of a jet driven SN with an explosion epoch temporally coincident with the neutrino detection. However, distinguishing Type Ia and Type Ic SNe at this redshift is notoriously difficult. Based on all available data we conclude that the transient is more likely to be a Type Ia with relatively weak Si II absorption and a fairly normal rest-frame r -band light curve. If, as predicted, there is no high-energy neutrino emission from Type Ia SNe, then PS16cgx must be a random coincidence, and unrelated to the IceCube-160427A. We find no other plausible optical transient for any of the five IceCube events observed down to a 5 σ limiting magnitude of m i P1 ≈ 22 mag, between 1 day and 25 days after detection.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The Carnegie Supernova Project I: Spectroscopic analysis of stripped-envelope supernovae

An analysis leveraging 170 optical spectra of 35 stripped-envelope (SE) core-collapse supernovae (SNe) observed by the Carnegie Supernova Project I and published in a companion paper is presented. Mean template spectra were constructed for the SNe IIb, Ib, and Ic subtypes, and parent ions associated with designated spectral features are identified with the aid of the spectral synthesis code SYNAPPS. Our modeled mean spectra suggest the ~6150 Å feature in SNe IIb may have an underlying contribution due to silicon, while the same feature in some SNe Ib may have an underlying contribution due to hydrogen. Standard spectral line diagnostics consisting of pseudo-equivalent widths (pEWs) and blue-shifted Doppler velocity were measured for each of the spectral features. Correlation matrices and rolling mean values of both spectral diagnostics were constructed. A principle component analysis (PCA) was applied to various wavelength ranges of the entire dataset and suggests clear separation among the different SE SN subtypes, which follows from trends previously identified in the literature. In addition, our findings reveal the presence of two SNe IIb subtypes, a select number of SNe Ib displaying signatures of weak, high-velocity hydrogen, and a single SN Ic with evidence of weak helium features. Our PCA results can be leveraged to obtain robust subtyping of SE SNe based on a single spectrum taken during the so-called photospheric phase, separating SNe IIb from SNe Ib with ~80% completion.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

RF H and CD systems for DEMO - Challenges and opportunities

The aim of driving a sufficient amount of plasma current with an appropriate radial current density profile is considered as one of the key challenges for a tokamak fusion power plant in steady state operation. Furthermore, efficient heating to enable transition to regime of enhanced confinement and to achieve breakeven plasma temperatures as well as MHD control and plasma breakdown assistance are required. In the framework of the EFDA Power Plant Physics and Technology (PPPT) activities, the ability of the Electron cyclotron (EC), Ion Cyclotron (IC) and Lower Hybrid (LH) systems to fulfil these requirements, was studied for a demonstration fusion power plant (DEMO). As boundary condition, a 1D description of the plasma for a pulsed DEMO based on system code studies combined with transport analysis was developed. The predicted 1D plasma parameters were used to calculate the current drive (CD) efficiency of each system and eventually optimised it. As an example, the EC current drive efficiency could be increased strongly by top launch compared to equatorial launch at least by a factor of two. For the IC system, two possible windows of operation for standard and higher frequencies were highlighted, whereby again top launch leads to higher CD-efficiencies. The efficiencies predicted for DEMO for the RF current drive systems will be presented. Finally, gaps in the feasibility of RF systems under DEMO relevant conditions will be identified.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A revolutionary concept to improve the efficiency of ion cyclotron antennas

The successful design of an ion cyclotron (IC) antenna mainly relies on the capability of coupling high power to the plasma (MW), feature that is currently reached by allowing rather high voltages (tens of kV) on the unavoidable unmatched part of the feeding lines. This requirement is often responsible of arcs along the transmission lines and other unwanted phenomena, such as rectification discharges or hotspots, that considerably limit the usage of IC launchers. In this work, we suggest and describe a revolutionary approach based on high impedance surfaces, which allows to increase the antenna radiation efficiency and, hence, to highly reduce the imposed voltages to couple the same level of power to the plasma. High-impedance surfaces are periodic metallic structures (patches) displaced usually on top of a dielectric substrate and grounded by means of vertical posts usually embedded inside a dielectric, in a mushroom-like shape. In terms of working properties, high impedance surfaces are electrically thin in-phase reflectors, i.e., they present a high impedance, within a given frequency band, such that the image currents are in-phase with the currents of the antenna itself, thus determining a significant efficiency increase. While the usual design of a high impedance surface requires the presence of a dielectric layer, some alternative solutions can be realised in vacuum, taking advantage of double layers of metallic patches. After an introductory part on the properties of high impedance surfaces, this work documents both their design by means of numerical codes and their implementation on a scaled mock-up.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Study of heat sources interacting in integrated circuits by laser mirage effect

This work exploits the mirage effect to analyze multiple heat sources thermally interacting in an integrated circuit (IC) by means of a probe IR laser beam, which strikes on the die lateral walls and passes through the die substrate. Under such conditions, the criteria for locating such hot spots, as well as their relative power dissipation, are discussed on the basis of a theoretical model inferred in this work. Finally, the technique feasibility is shown in a real application scenario, obtaining 5-μm spatial lateral resolution and an error in power dissipation measurements below 5%. This method may become a practical alternative to usual off-chip techniques for inspecting hot spots in ICs and to experimentally characterize heat flow in the semiconductor substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effective and accurate approach for modeling of commensurate–incommensurate transition in krypton monolayer on graphite

Commensurate–incommensurate (C-IC) transition of krypton molecular layer on graphite received much attention in recent decades in theoretical and experimental researches. However, there still exists a possibility of generalization of the phenomenon from thermodynamic viewpoint on the basis of accurate molecular simulation. Recently, a new technique was developed for analysis of two-dimensional (2D) phase transitions in systems involving a crystalline phase, which is based on accounting for the effect of temperature and the chemical potential on the lattice constant of the 2D layer using the Gibbs–Duhem equation [E. A. Ustinov, J. Chem. Phys. 140, 074706 (2014)]. The technique has allowed for determination of phase diagrams of 2D argon layers on the uniform surface and in slit pores. This paper extends the developed methodology on systems accounting for the periodic modulation of the substrate potential. The main advantage of the developed approach is that it provides highly accurate evaluation of the chemical potential of crystalline layers, which allows reliable determination of temperature and other parameters of various 2D phase transitions. Applicability of the methodology is demonstrated on the krypton–graphite system. Analysis of phase diagram of the krypton molecular layer, thermodynamic functions of coexisting phases, and a method of prediction of adsorption isotherms is considered accounting for a compression of the graphite due to the krypton–carbon interaction. The temperature and heat of C-IC transition has been reliably determined for the gas–solid and solid–solid system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A conceptual design of an electron spectrometer for ELI-NP

We present the geometry and field parameters of an Electron Spectrometer (ES) with two dipole magnets, considered for electron energy measurements at the High Fields QED experimental area at ELI-NP. The first magnet is a 2 meter long permanent magnet, placed inside the Interaction Chamber (IC). The second magnet is a 1.5 meters long electromagnet, placed outside IC. The pulsed electron beam will be produced by the 10 PW pulsed Laser, ‘pump-beam’, focused into one meter long capillary low density plasma cell. A second 10 PW pulsed Laser, ‘probe-beam’, will interact with the relativistic electron bunch providing the strong electromagnetic field. The ES will measure the subtle changes in the electron energy spectrum as a result of the electron beam interaction with the probe-beam field.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗