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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Synthesis and Computational Analysis of Uranium(III)-Pnictogen Bonds

In this report, we describe the synthesis and characterization of two novel complexes that contain uranium(III)-pnictogen (P: 1-PMes 2 ; As: 1-AsMes 2 ) bonds to elucidate the degrees of covalency among these bonds. To our knowledge, this is the first reported uranium(III)-arsenic complex to be synthesized and characterized. Analysis of the phosphorus and arsenic bonds reveals a similar electronic environment, assessed by UV–vis NIR, that is comparable to other previously reported uranium(III) complexes. A computational analysis of these compounds and their congeners, N, Sb, and Bi, was performed to identify trends in the overall bonding character of the complexes. This analysis shows that bond covalency decreases as the pnictogen becomes heavier and that overall the interaction energy and its components decrease down the group. Here, this study provides an in-depth analysis and understanding of the nature of bonding between hard actinide and soft pnictogen centers.

Actinides↗
DOE OSTI2012

A note on the consistency condition of primordial fluctuations

We show that the squeezed limit of (N+1)-point functions of primordial correlation functions in which one of the modes has a very small wavenumber can be inferred from the spatial variation of locally measured N-point function. We then show how in single clock inflation a long wavelength perturbation can be re-absorbed in the background cosmology and how in computing correlation functions the integrals of the interaction Hamiltonian are dominated by conformal times of order of the short wavelength modes, when the long mode is already outside of the horizon. This allows us to generalize the consistency condition for N-point functions to the case in which the short wavelength fluctuations are inside the horizon and derivatives acts on them. We further discuss the consistency condition in the soft internal squeezed limit in which in an (N+M)-point function with (N+M) short modes the sum of the first N modes is a very soft momentum. These results are very useful to study infrared effects in Inflation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Influence of a Heterocyclic Nitrogen-Donor Group on the Coordination of Trivalent Actinides and Lanthanides by Aminopolycarboxylate Complexants

Here, the novel metal chelator – N -2-pyridylmethyl-diethylenetriamine- N,N',N'',N'' -tetraacetic acid, DTTA-PyM – was designed to replace a single O-donor acetate group of the well-known aminopolycarboxylate complexant diethylenetriamine- N,N,N',N'',N'' -pentaacetic acid (DTPA) with an N-donor 2-pyridylmethyl. Potentiometric, spectroscopic, computational, and radioisotope distribution methods show distinct differences for the 4f and 5f coordination environments and enhanced actinide binding due to the nitrogen bearing heterocyclic moiety. The Am 3+ , Cm 3+ , Ln 3+ complexation studies for DTTA-PyM reveal an enhanced preference, relative to DTPA, for trivalent actinide binding. Fluorescence studies indicate no changes to the octadentate coordination of trivalent curium, while evidence of heptadentate complexation of trivalent europium is found in mixtures containing EuHL (aq) complexes at the same aqueous acidity. The denticity change observed for Eu 3+ suggests that complex protonation occurs on the pyridyl nitrogen. Formation of the CmHL(aq) complex is likely due to the protonation of an available carboxylate group since the carbonyl oxygen can maintain octadentate coordination through a rotation. The observed suppressed protonation of the pyridyl nitrogen in the Cm complexes may be attributed to stronger trivalent actinide binding by DTTA-PyM. Density functional theory calculations indicate that added stabilization of the actinide complexes with DTTA-PyM may originate from p back-bonding interactions between singly occupied 5 f orbitals of Am 3+ and the pyridyl nitrogen. The differences between the stability of trivalent actinide chelates (Am 3+ , Cm 3+ ) and trivalent lanthanide chelates (La 3+ -Lu 3+ ) are observed in liquid-liquid extraction systems, yielding unprecedented 4 f /5 f differentiation when using DTTA-PyM as an aqueous holdback reagent. In addition, the enhanced N -donor softness of the new DTTA-PyM chelator was perturbed by adding a fluorine onto the pyridine group. The comparative characterization of N -(3-fluoro-2-pyridylmethyl)-diethylenetriamine- N,N',N'',N'' -tetraacetic acid, DTTA-3-F-PyM, showed subdued 4 f /5 f differentiation due to the presence of this electron-withdrawing group.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2010

Micron-focused ion beamlets

A multiple beam electrode system (MBES) is used to provide focused ion beamlets of elements from a compact microwave plasma. In this study, a honeycomb patterned plasma electrode with micron size apertures for extracting ion beamlets is investigated. The performance of the MBES is evaluated with the help of two widely adopted and commercially available beam simulation tools, AXCEL-INP and SIMION, where the input parameters are obtained from our experiments. A simple theoretical model based upon electrostatic ray optics is employed to compare the results of the simulations. It is found that the results for the beam focal length agree reasonably well. Different geometries are used to optimize the beam spot size and a beam spot {approx}5-10 {mu}m is obtained. The multiple ion beamlets will be used to produce microfunctional surfaces on soft matter like polymers. Additionally, the experimental set-up and plans are presented in the light of above applications.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Quantitative comparison of noise texture across CT scanners from different manufacturers

Purpose: To quantitatively compare noise texture across computed tomography (CT) scanners from different manufacturers using the noise power spectrum (NPS). Methods: The American College of Radiology CT accreditation phantom (Gammex 464, Gammex, Inc., Middleton, WI) was imaged on two scanners: Discovery CT 750HD (GE Healthcare, Waukesha, WI), and SOMATOM Definition Flash (Siemens Healthcare, Germany), using a consistent acquisition protocol (120 kVp, 0.625/0.6 mm slice thickness, 250 mAs, and 22 cm field of view). Images were reconstructed using filtered backprojection and a wide selection of reconstruction kernels. For each image set, the 2D NPS were estimated from the uniform section of the phantom. The 2D spectra were normalized by their integral value, radially averaged, and filtered by the human visual response function. A systematic kernel-by-kernel comparison across manufacturers was performed by computing the root mean square difference (RMSD) and the peak frequency difference (PFD) between the NPS from different kernels. GE and Siemens kernels were compared and kernel pairs that minimized the RMSD and |PFD| were identified. Results: The RMSD (|PFD|) values between the NPS of GE and Siemens kernels varied from 0.01 mm{sup 2} (0.002 mm{sup -1}) to 0.29 mm{sup 2} (0.74 mm{sup -1}). The GE kernels 'Soft,''Standard,''Chest,' and 'Lung' closely matched the Siemens kernels 'B35f,''B43f,''B41f,' and 'B80f' (RMSD < 0.05 mm{sup 2}, |PFD| < 0.02 mm{sup -1}, respectively). The GE 'Bone,''Bone+,' and 'Edge' kernels all matched most closely with Siemens 'B75f' kernel but with sizeable RMSD and |PFD| values up to 0.18 mm{sup 2} and 0.41 mm{sup -1}, respectively. These sizeable RMSD and |PFD| values corresponded to visually perceivable differences in the noise texture of the images. Conclusions: It is possible to use the NPS to quantitatively compare noise texture across CT systems. The degree to which similar texture across scanners could be achieved varies and is limited by the kernels available on each scanner.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Validation for 2D/3D registration II: The comparison of intensity- and gradient-based merit functions using a new gold standard data set

Purpose: A new gold standard data set for validation of 2D/3D registration based on a porcine cadaver head with attached fiducial markers was presented in the first part of this article. The advantage of this new phantom is the large amount of soft tissue, which simulates realistic conditions for registration. This article tests the performance of intensity- and gradient-based algorithms for 2D/3D registration using the new phantom data set. Methods: Intensity-based methods with four merit functions, namely, cross correlation, rank correlation, correlation ratio, and mutual information (MI), and two gradient-based algorithms, the backprojection gradient-based (BGB) registration method and the reconstruction gradient-based (RGB) registration method, were compared. Four volumes consisting of CBCT with two fields of view, 64 slice multidetector CT, and magnetic resonance-T1 weighted images were registered to a pair of kV x-ray images and a pair of MV images. A standardized evaluation methodology was employed. Targets were evenly spread over the volumes and 250 starting positions of the 3D volumes with initial displacements of up to 25 mm from the gold standard position were calculated. After the registration, the displacement from the gold standard was retrieved and the root mean square (RMS), mean, and standard deviation mean target registration errors (mTREs) over 250 registrations were derived. Additionally, the following merit properties were computed: Accuracy, capture range, number of minima, risk of nonconvergence, and distinctiveness of optimum for better comparison of the robustness of each merit. Results: Among the merit functions used for the intensity-based method, MI reached the best accuracy with an RMS mTRE down to 1.30 mm. Furthermore, it was the only merit function that could accurately register the CT to the kV x rays with the presence of tissue deformation. As for the gradient-based methods, BGB and RGB methods achieved subvoxel accuracy (RMS mTRE down to 0.56 and 0.70 mm, respectively). Overall, gradient-based similarity measures were found to be substantially more accurate than intensity-based methods and could cope with soft tissue deformation and enabled also accurate registrations of the MR-T1 volume to the kV x-ray image. Conclusions: In this article, the authors demonstrate the usefulness of a new phantom image data set for the evaluation of 2D/3D registration methods, which featured soft tissue deformation. The author's evaluation shows that gradient-based methods are more accurate than intensity-based methods, especially when soft tissue deformation is present. However, the current nonoptimized implementations make them prohibitively slow for practical applications. On the other hand, the speed of the intensity-based method renders these more suitable for clinical use, while the accuracy is still competitive.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Helicity methods for high multiplicity subleading soft and collinear limits

The factorization of multi-leg gauge theory amplitudes in the soft and collinear limits provides strong constraints on the structure of amplitudes, and enables efficient calculations of multi-jet observables at the LHC. There is significant interest in extending this understanding to include subleading powers in the soft and collinear limits. While this has been achieved for low point amplitudes, for higher point functions there is a proliferation of variables and more complicated phase space, making the analysis more challenging. By combining the subleading power expansion of spinor-helicity variables in collinear limits with consistency relations derived from the soft collinear effective theory, we show how to efficiently extract the subleading power leading logarithms of N-jet event shape observables directly from known spinor-helicity amplitudes. At subleading power, we observe the presence of power law singularities arising solely from the expansion of the amplitudes, which for hadron collider event shapes lead to the presence of derivatives of parton distributions. The techniques introduced here can be used to efficiently compute the power corrections for N-jettiness subtractions for processes involving jets at the LHC.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Response and representation of ductile damage under varying shock loading conditions in tantalum

The response of polycrystalline metals, which possess adequate mechanisms for plastic deformation under extreme loading conditions, is often accompanied by the formation of pores within the structure of the material. This large deformation process is broadly identified as progressive with nucleation, growth, coalescence, and failure the physical path taken over very short periods of time. These are well known to be complex processes strongly influenced by microstructure, loading path, and the loading profile, which remains a significant challenge to represent and predict numerically. In the current study, the influence of loading path on the damage evolution in high-purity tantalum is presented. Tantalum samples were shock loaded to three different peak shock stresses using both symmetric impact, and two different composite flyer plate configurations such that upon unloading the three samples displayed nearly identical “pull-back” signals as measured via rear-surface velocimetry. While the “pull-back” signals observed were found to be similar in magnitude, the sample loaded to the highest peak stress nucleated a connected field of ductile fracture which resulted in complete separation, while the two lower peak stresses resulted in incipient damage. The damage evolution in the “soft” recovered tantalum samples was quantified using optical metallography, electron-back-scatter diffraction, and tomography. These experiments are examined numerically through the use of a model for shock-induced porosity evolution during damage. The model is shown to describe the response of the tantalum reasonably well under strongly loaded conditions but less well in the nucleation dominated regime. As a result, numerical results are also presented as a function of computational mesh density and discussed in the context of improved representation of the influence of material structure upon macro-scale models of ductile damage.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Automatic tracking of arbitrarily shaped implanted markers in kilovoltage projection images: A feasibility study

Purpose: Certain types of commonly used fiducial markers take on irregular shapes upon implantation in soft tissue. This poses a challenge for methods that assume a predefined shape of markers when automatically tracking such markers in kilovoltage (kV) radiographs. The authors have developed a method of automatically tracking regularly and irregularly shaped markers using kV projection images and assessed its potential for detecting intrafractional target motion during rotational treatment. Methods: Template-based matching used a normalized cross-correlation with simplex minimization. Templates were created from computed tomography (CT) images for phantom studies and from end-expiration breath-hold planning CT for patient studies. The kV images were processed using a Sobel filter to enhance marker visibility. To correct for changes in intermarker relative positions between simulation and treatment that can introduce errors in automatic matching, marker offsets in three dimensions were manually determined from an approximately orthogonal pair of kV images. Two studies in anthropomorphic phantom were carried out, one using a gold cylindrical marker representing regular shape, another using a Visicoil marker representing irregular shape. Automatic matching of templates to cone beam CT (CBCT) projection images was performed to known marker positions in phantom. In patient data, automatic matching was compared to manual matching as an approximate ground truth. Positional discrepancy between automatic and manual matching of less than 2 mm was assumed as the criterion for successful tracking. Tracking success rates were examined in kV projection images from 22 CBCT scans of four pancreas, six gastroesophageal junction, and one lung cancer patients. Each patient had at least one irregularly shaped radiopaque marker implanted in or near the tumor. In addition, automatic tracking was tested in intrafraction kV images of three lung cancer patients with irregularly shaped markers during 11 volumetric modulated arc treatments. Purpose-built software developed at our institution was used to create marker templates and track the markers embedded in kV images. Results: Phantom studies showed mean ± standard deviation measurement uncertainty of automatic registration to be 0.14 ± 0.07 mm and 0.17 ± 0.08 mm for Visicoil and gold cylindrical markers, respectively. The mean success rate of automatic tracking with CBCT projections (11 frames per second, fps) of pancreas, gastroesophageal junction, and lung cancer patients was 100%, 99.1% (range 98%–100%), and 100%, respectively. With intrafraction images (approx. 0.2 fps) of lung cancer patients, the success rate was 98.2% (range 97%–100%), and 94.3% (range 93%–97%) using templates from 1.25 mm and 2.5 mm slice spacing CT scans, respectively. Correction of intermarker relative position was found to improve the success rate in two out of eight patients analyzed. Conclusions: The proposed method can track arbitrary marker shapes in kV images using templates generated from a breath-hold CT acquired at simulation. The studies indicate its feasibility for tracking tumor motion during rotational treatment. Investigation of the causes of misregistration suggests that its rate of incidence can be reduced with higher frequency of image acquisition, templates made from smaller CT slice spacing, and correction of changes in intermarker relative positions when they occur.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

QCD and Light-Front Dynamics

AdS/QCD, the correspondence between theories in a dilaton-modified five-dimensional anti-de Sitter space and confining field theories in physical space-time, provides a remarkable semiclassical model for hadron physics. Light-front holography allows hadronic amplitudes in the AdS fifth dimension to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time. The result is a single-variable light-front Schroedinger equation which determines the eigenspectrum and the light-front wavefunctions of hadrons for general spin and orbital angular momentum. The coordinate z in AdS space is uniquely identified with a Lorentz-invariant coordinate {zeta} which measures the separation of the constituents within a hadron at equal light-front time and determines the off-shell dynamics of the bound state wavefunctions as a function of the invariant mass of the constituents. The hadron eigenstates generally have components with different orbital angular momentum; e.g., the proton eigenstate in AdS/QCD with massless quarks has L = 0 and L = 1 light-front Fock components with equal probability. Higher Fock states with extra quark-anti quark pairs also arise. The soft-wall model also predicts the form of the nonperturbative effective coupling and its {beta}-function. The AdS/QCD model can be systematically improved by using its complete orthonormal solutions to diagonalize the full QCD light-front Hamiltonian or by applying the Lippmann-Schwinger method to systematically include QCD interaction terms. Some novel features of QCD are discussed, including the consequences of confinement for quark and gluon condensates. A method for computing the hadronization of quark and gluon jets at the amplitude level is outlined.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Optimal pulse spacing for dynamical decoupling in the presence of a purely dephasing spin bath

Maintaining quantum coherence is a crucial requirement for quantum computation; hence protecting quantum systems against their irreversible corruption due to environmental noise is an important open problem. Dynamical decoupling (DD) is an effective method for reducing decoherence with a low control overhead. It also plays an important role in quantum metrology, where, for instance, it is employed in multiparameter estimation. While a sequence of equidistant control pulses [the Carr-Purcell-Meiboom-Gill (CPMG) sequence] has been ubiquitously used for decoupling, Uhrig recently proposed that a nonequidistant pulse sequence [the Uhrig dynamic decoupling (UDD) sequence] may enhance DD performance, especially for systems where the spectral density of the environment has a sharp frequency cutoff. On the other hand, equidistant sequences outperform UDD for soft cutoffs. The relative advantage provided by UDD for intermediate regimes is not clear. In this paper, we analyze the relative DD performance in this regime experimentally, using solid-state nuclear magnetic resonance. Our system qubits are {sup 13}C nuclear spins and the environment consists of a {sup 1}H nuclear spin bath whose spectral density is close to a normal (Gaussian) distribution. We find that in the presence of such a bath, the CPMG sequence outperforms the UDD sequence. An analogy between dynamical decoupling and interference effects in optics provides an intuitive explanation as to why the CPMG sequence performs better than any nonequidistant DD sequence in the presence of this kind of environmental noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

The asymptotic form of non-global logarithms, black disc saturation, and gluonic deserts

Here, we develop an asymptotic perturbation theory for the large logarithmic behavior of the non-linear integro-differential equation describing the soft correlations of QCD jet measurements, the Banfi-Marchesini-Smye (BMS) equation. Furthermore, this equation captures the late-time evolution of radiating color dipoles after a hard collision. This allows us to prove that at large values of the control variable (the non-global logarithm, a function of the infra-red energy scales associated with distinct hard jets in an event), the distribution has a gaussian tail. We also compute the decay width analytically, giving a closed form expression, and find it to be jet geometry independent, up to the number of legs of the dipole in the active jet. By enabling the asymptotic expansion we find that the perturbative seed is correct; we perturb around an anzats encoding formally no real emissions, an intuition motivated by the buffer region found in jet dynamics. This must be supplemented with the correct application of the BFKL approximation to the BMS equation in collinear limits. Comparing to the asymptotics of the conformally related evolution equation encountered in small-x physics, the Balitisky-Kovchegov (BK) equation, we find that the asymptotic form of the non-global logarithms directly maps to the black-disc unitarity limit of the BK equation, despite the contrasting physical pictures. Indeed, we recover the equations of saturation physics in the final state dynamics of QCD.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Electron and photon structure functions at two loops

We present a fully analytic computation of the complete electron and photon structure functions, or QED lepton parton distribution functions (PDFs) up to two-loop order. Our computation is performed using modern techniques of reduction to Master Integrals and solving them with the differential equation method. We obtain explicit expressions for the electron-in-electron, positron-in-electron, photon-in-electron, electron-in-photon, and photon-in-photon distributions at next-to-next-to-leading order (NNLO). Cross-checks against one-loop results, existing two-loop calculations, and a recent soft-collinear effective theory (SCET) analysis of the electron structure functions are presented.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Normal and resonant Auger spectroscopy of isocyanic acid, HNCO

In this study, we investigate HNCO by resonant and nonresonant Auger electron spectroscopy at the K-edges of carbon, nitrogen, and oxygen, employing soft X-ray synchrotron radiation. In comparison with the isosteric but linear CO 2 molecule, spectra of the bent HNCO molecule are similar but more complex due to its reduced symmetry, wherein the degeneracy of the π-orbitals is lifted. Resonant Auger electron spectra are presented at different photon energies over the first core-excited 1s → 10a' resonance. All Auger electron spectra are assigned based on ab initio configuration interaction computations combined with the one-center approximation for Auger intensities and moment theory to consider vibrational motion. The calculated spectra were scaled by a newly introduced energy scaling factor, and generally, good agreement is found between experiment and theory for normal as well as resonant Auger electron spectra. A comparison of resonant Auger spectra with nonresonant Auger structures shows a slight broadening as well as a shift of the former spectra between –8 and –9 eV due to the spectating electron. Since HNCO is a small molecule and contains the four most abundant atoms of organic molecules, the reported Auger electron decay spectra will provide a benchmark for further theoretical approaches in the computation of core electron spectra.

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

Monte Carlo simulations of the dose from imaging with GE eXplore 120 micro-CT using GATE

Purpose: Small animals are increasingly used as translational models in preclinical imaging studies involving microCT, during which the subjects can be exposed to large amounts of radiation. While the radiation levels are generally sublethal, studies have shown that low-level radiation can change physiological parameters in mice. In order to rule out any influence of radiation on the outcome of such experiments, or resulting deterministic effects in the subjects, the levels of radiation involved need to be addressed. The aim of this study was to investigate the radiation dose delivered by the GE eXplore 120 microCT non-invasively using Monte Carlo simulations in GATE and to compare results to previously obtained experimental values. Methods: Tungsten X-ray spectra were simulated at 70, 80, and 97 kVp using an analytical tool and their half-value layers were simulated for spectra validation against experimentally measured values of the physical X-ray tube. A Monte Carlo model of the microCT system was set up and four protocols that are regularly applied to live animal scanning were implemented. The computed tomography dose index (CTDI) inside a PMMA phantom was derived and multiple field of view acquisitions were simulated using the PMMA phantom, a representative mouse and rat. Results: Simulated half-value layers agreed with experimentally obtained results within a 7% error window. The CTDI ranged from 20 to 56 mGy and closely matched experimental values. Derived organ doses in mice reached 459 mGy in bones and up to 200 mGy in soft tissue organs using the highest energy protocol. Dose levels in rats were lower due to the increased mass of the animal compared to mice. The uncertainty of all dose simulations was below 14%. Conclusions: Monte Carlo simulations proved a valuable tool to investigate the 3D dose distribution in animals from microCT. Small animals, especially mice (due to their small volume), receive large amounts of radiation from the GE eXplore 120 microCT, which might alter physiological parameters in a longitudinal study setup.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface

Charge transfer across the electrode–electrolyte interface is a highly complex and convoluted process involving diverse solvated species with varying structures and compositions. Despite recent advances in in situ and operando interfacial analysis, molecular specific reactivity of solvated species is inaccessible due to a lack of precise control over the interfacial constituents and/or an unclear understanding of their spectroscopic fingerprints. However, such molecular-specific understanding is critical to the rational design of energy-efficient solid–electrolyte interphase layers. We have employed ion soft landing, a versatile and highly controlled method, to prepare well-defined interfaces assembled with selected ions, either as solvated species or as bare ions, with distinguishing molecular precision. Equipped with precise control over interfacial composition, we employed in situ multimodal spectroscopic characterization to unravel the molecular specific reactivity of Mg solvated species comprising (i.e., bis(trifluoromethanesulfonyl)imide, TFSI – ) anions and solvent molecules (i.e., dimethoxyethane, DME/G1) on a Mg metal surface relevant to multivalent Mg batteries. In situ multimodal spectroscopic characterization revealed higher reactivity of the undercoordinated solvated species [Mg-TFSI-G1] + compared to the fully coordinated [Mg-TFSI-(G1) 2 ] + species or even the bare TFSI – . These results were corroborated by the computed reaction pathways and energy barriers for decomposition of the TFSI – within Mg solvated species relative to bare TFSI – . Finally, we evaluated the TFSI reactivity under electrochemical conditions using Mg(TFSI) 2 –DME-based phase-separated electrolytes representing different solvated constituents. Based on our multimodal study, we report a detailed understanding of TFSI – decomposition processes as part of coordinated solvated species at a Mg-metal anode that will aid the rational design of improved sustainable electrochemical energy technologies.

25 ENERGY STORAGE↗
DOE OSTI2012

Low-Charge, Hard X-Ray Free Electron Laser Driven with an X-Band Injector and Accelerator

After the successful operation of the Free Electron Laser in Hamburg (FLASH) and the Linac Coherent Light Source (LCLS), soft and hard x-ray free electron lasers (FELs) are being built, designed, or proposed at many accelerator laboratories. Acceleration employing lower frequency rf cavities, ranging from L-band to C-band, is usually adopted in these designs. In the first stage bunch compression, higher-frequency harmonic rf system is employed to linearize the beam's longitudinal phase space, which is nonlinearly chirped during the lower frequency rf acceleration process. In this paper, a hard x-ray FEL design using an all X-band accelerator at 11.424 GHz (from photocathode rf gun to linac end) is presented, without the assistance of any harmonic rf linearization. It achieves LCLS-like performance at low charge using X-band linac drivers, which is more versatile, efficient, and compact than ones using S-band or C-band rf technology. It employs initially 42 microns long (rms), low-charge (10 pC) electron bunches from an X-band photoinjector. An overall bunch compression ratio of roughly 100 times is proposed in a two stage bunch compressor system. The start-to-end macroparticle 3D simulation employing several computer codes is presented in this paper, where space charge, wakefields, and incoherent and coherent synchrotron radiation effects are included. Employing an undulator with a short period of 1.5 cm, a Genesis FEL simulation shows successful lasing at a wavelength of 0.15 nm with a pulse length of 2 fs and a power saturation length as short as 20 meters, which is equivalent to LCLS low-charge mode. Its overall length of both accelerators and undulators is 180 meters (much shorter than the effective LCLS overall length of 1230 meters, including an accelerator length of 1100 meters and an undulator length of 130 meters), which makes it possible to be built in places where only limited space is available.

43 PARTICLE ACCELERATORS↗