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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 145 records · Page 8

Three rate-determining protein roles in photosynthetic O 2 -evolution addressed by time-resolved experiments on genetically modified photosystems

Light-driven water splitting by plants, algae and cyanobacteria is pivotal for global bioenergetics and biomass formation. A manganese cluster bound to the photosystem II proteins catalyzes the complex reaction at high rate, but the rate-determining factors are insufficiently understood. Here we trace the oxygen-evolution transition by time-resolved polarography and infrared spectroscopy for cyanobacterial photosystems genetically modified at two strategic sites, complemented by computational chemistry. Our results highlight three rate-determining roles of the protein environment of the metal cluster: acceleration of proton-coupled electron transfer, acceleration of substrate-water insertion after O 2 -formation, and balancing of rate-determining enthalpic and entropic contributions. Whereas in general the substrate-water insertion step may be unresolvable in time-resolved experiments, here it likely becomes traceable because of deceleration by genetic modification. Our results may stimulate new time-resolved experiments on substrate-water insertion in photosynthesis, clarification of enthalpy-entropy compensation in enzyme catalysis, and knowledge-guided development of inorganic catalyst materials.

Bioenergetics↗

SRF Resonators for a bi-directional Energy Ramping Upgrade of the Isotope Production Facility Beamline at LANL

The LANL Isotope Production Facility (IPF) is one of the two high-current proton linear accelerators operated under the auspices of the DOE Office of Nuclear Physics Isotope Development and Production for Research Applications Program. The IPF beamline operates with a fixed 100-MeV energy proton beam, diverted from the LANSCE accelerator and guided towards the isotope production target station. The fixed beam energy limits the number of isotopes that can be produced at IPF, and adversely affects the purity of isotopes produced at non-optimal energies. In particular, the IPF program is receiving increasing numbers of requests for high purity isotopes such as Np-236 (national security applications) and Re-186 (medical therapy). These are typically produced via (p,n) and (p,2n) nuclear reactions, requiring very tight control of the incident energies on the production targets to ensure an end product with a high radionuclidic purity. It is well known that this level of energy control cannot be achieved when a 100 MeV beam of mono-energetic protons is degraded to the required energies, typically below 30 MeV, as too much energy spread is acquired. Operating the IPF beamline at lower, mono-energetic beam energies such as at 40 MeV will allow the required tight energy control in target assemblies to ensure a high purity product. In addition, NP has requested a LANL/BNL/ORNL collaboration focus on establishing a national large-scale production capability for the therapy isotope Ac-225. Recent nuclear cross section measurements done at LANL show that due to a steep rise in production cross section towards higher proton energies (See Figure 2), proton beams at energies substantially greater than 100 MeV will be highly beneficial for Ac-225 production [AC255]. Such higher-energy beams cannot be delivered to IPF at present. Lower-energy beams (70 MeV and 40 MeV) can be delivered but only in sole-use mode; all other LANSCE users must be offline during 70 MeV or 40 MeV operation.

07 ISOTOPE AND RADIATION SOURCES↗

Whitepaper submitted to Snowmass21: Advanced accelerator linear collider demonstration facility at intermediate energy

It is widely accepted that the next lepton collider beyond a Higgs factory would require center-of-mass energy of the order of up to 15 TeV. Since, given reasonable space and cost restrictions, conventional accelerator technology reaches its limits near this energy, high-gradient advanced acceleration concepts are attractive. Advanced and novel accelerators (ANAs) are leading candidates due to their ability to produce acceleration gradients on the order of 1--100~GV/m, leading to compact acceleration structures. Over the last 10-15 years significant progress has been achieved in accelerating electron beams by ANAs. For example, the demonstration of several-GeV electron beams from laser-powered capillary discharge waveguides, as well as the proof-of-principle coupling of two accelerating structures powered by different laser pulses, has increased interest in ANAs as a viable technology to be considered for a compact, TeV-class, lepton linear collider. However, intermediate facilities are required to test the technology and demonstrate key subsystems. A 20-100 GeV center-of-mass energy ANA-based lepton collider can be a possible candidate for an intermediate facility. Apart from being a test beam facility for accelerator and detector studies, this collider will provide opportunities to study muon and proton beam acceleration, investigate charged particle interactions with extreme electromagnetic fields (relevant for beam delivery system designs and to study the physics at the interaction point), as well as precision Quantum Chromodynamics and Beyond the Standard Model physics measurements. Possible applications of this collider include the studies of $\gamma\gamma$ and $e$-ion collider designs.

43 PARTICLE ACCELERATORS↗

Upgrading Fermilab s Accelerator Control System with ACORN

The Fermilab Accelerator Complex is the largest national user facility in the Office of High Energy Physics (DOE/HEP) program and the only national user facility operating at Fermilab. Fermilab serves as the host to the Long Baseline Neutrino Facility/Deep Underground Neutrino Experiment (LBNF/DUNE), the laboratory’s flagship project for neutrino science that is under construction. LBNF/DUNE will be powered by megawatt beams from an upgraded accelerator, the Proton Improvement Plan II (PIP-II) that will replace the laboratory’s aging linear accelerator with a new one based on superconducting radio-frequency cavities. The Accelerator Controls Operations Research Network (ACORN) Project will support LBNF/DUNE and PIP-II by modernizing the accelerator control system. The project is at the conceptual design phase and looking to achieve Critical Decision 1 (CD-1) later this year. The scope and structure of the project will be presented, along with an overview of how that has changed in the past year. Current design and technology choices will be shared. Specific challenges facing the project will be addressed, along with current thinking on solutions.

Roehrig, Christian [Fermilab]↗

RF Sources for Electron Accelerators With a focus on high-duty-factor, low-to-moderate energy architectures

A charged particle, such as an electron or a proton, is accelerated through its interaction with either a static (DC) or time-varying (RF) electric field. The magnitude of the accelerating field, or gradient, is typically given in units of volts per meter; in charged-particle accelerators, fields are usually expressed as kV/m or MV/m. The energy of the accelerated particle is usually expressed in terms of electron volts, or eV. An electron starting at rest at ground potential, and accelerated to an electrode with a potential of 1 kV, will have an energy of 1 keV.

43 PARTICLE ACCELERATORS↗

High gradient research and facilities at Los Alamos National Laboratory [Slides]

A particle accelerator is a scientific instrument that produces a directional stream of electrically charged particles, usually electrons or protons. The accelerator propels particles to high speeds, close to the speed of light. Historically, accelerators play a crucial role in scientific discovery. Nowadays, accelerators produce particle beams for biomedical and material research, manufacturing, energy technology, and Homeland security.

43 PARTICLE ACCELERATORS↗

Three-dimensional particle-in-cell simulations of laser-driven multiradiation sources based on double-layer targets

Double-layer targets (DLTs), made of a low-density foam on top of a solid substrate, can efficiently convert the energy of a high-intensity laser to provide sources of photons and protons. We investigate a 30-fs pulse with a peak intensity of I ~ 8.7×10 20 W/cm 2 and a peak power of ~120 TW interacting with a DLT using three-dimensional (3D) particle-in-cell simulations. We focus on providing quantitative results in full 3D geometry on the foam thickness dependence; on the competition between two photon-generating processes in DLTs, i.e., nonlinear inverse Compton scattering (NICS) and bremsstrahlung (BS); and on the acceleration of protons via enhanced target-normal sheath acceleration. Here, we discuss conversion efficiency, average energy, and angular distributions of such multiradiation sources. We find that NICS can prevail over BS if the DLT's substrate is thin enough (~µ⁢m) and that the optimal foam thickness that maximizes the conversion efficiency in NICS and BS photons and the proton cutoff energy, among those considered, is the same (15µ⁢m). These results show that DLTs constitute an excellent tool for developing relatively compact and optimized laser-driven multicomponent radiation sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Performance Optimization of the IOTA Duoplasmatron Proton Source

We present results from online optimization studies of a duoplasmatron ion source designed to produce 50~keV protons for acceleration to 2.5~MeV and subsequent injection into the Integrable Optics Test Accelerator (IOTA) at Fermilab. Using a Bayesian exploration technique, we developed multi-parameter models of the source s proton current and employed these models to optimize its performance. Depending on the spectrometer configuration used to isolate the proton beam and the chosen optimization objective, we identified three candidate operating points, achieving normalized 50~\% emittances between 0.57 and 1.3~\textmu m and a maximum proton current of $14.5 \pm 0.6$~mA.

Banerjee, Nilanjan [Fermilab] (ORCID:0000000344660↗

Transversely pumped laser driven particle accelerator

We present a novel acceleration scheme capable of accelerating electrons and ions in an underdense plasma. Transversely Pumped Acceleration (TPA) uses multiple arrays of counter-propagating laser beamlets that focus onto a central acceleration axis. Tuning the injection timing and the spacing between the adjacent beamlets allows for precise control over the position and velocity of the intersection point of the counter-propagating beam arrays. This results in an accelerating structure that propagates orthogonal to the direction of laser propagation. We present the theory that sets the injection timing of the incoming pulses to accelerate electrons and ions with a tunable phase velocity plasma wave. Simulation results are also presented which demonstrate 1.12 GeV proton beams accelerated in 3.6 mm of plasma and electron acceleration gradients on the order of 1 TeV/m in a scheme that circumvents dephasing. This work has potential applications as a compact accelerator for medical physics and high energy physics colliders.

Laser-produced plasmas↗

Study of energy response and resolution of the ATLAS Tile Calorimeter to hadrons of energies from 16 to 30 GeV

Three spare modules of the ATLAS Tile Calorimeter were exposed to test beams from the Super Proton Synchrotron accelerator at CERN in 2017. The detector’s measurements of the energy response and resolution to positive pions and kaons, and protons with energies ranging from 16 to 30 GeV are reported. The results have uncertainties of a few percent. They were compared to the predictions of the Geant4-based simulation program used in ATLAS to estimate the response of the detector to proton-proton events at the Large Hadron Collider. The determinations obtained using experimental and simulated data agree within the uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

PIP-II Particle Accelerator

Fermilab’s Proton Improvement Plan II will power the long-term future of the U.S. accelerator-based particle physics program and enable the world’s most powerful high-energy neutrino beamfor the international Deep Underground Neutrino Experiment.

43 PARTICLE ACCELERATORS↗

PIP-II Particle Accelerator

Fermilab’s Proton Improvement Plan II will power the long-term future of the U.S. accelerator-based particle physics program and enable the world’s most powerful high-energy neutrino beam for the international Deep Underground Neutrino Experiment.

43 PARTICLE ACCELERATORS↗

Theoretical formulation of phase space microbunching instability in the presence of intrabeam scattering for single-pass or recirculation accelerators

Microbunching instability (MBI) has been one of the most challenging issues in designs of high-brightness beam transport lines for single-pass or recirculating accelerators. Although the intrabeam scattering (IBS) has long been studied in lepton or hadron storage rings as a slow diffusion process or in high-intensity proton linear accelerators as one mechanism for the beam halo, the effects of IBS on single-pass or recirculating electron accelerators have drawn attention only in the recent two decades due to emergence of linac-based or energy-recovery-linac-based fourth-generation light sources, which require high-quality electron beams during the beam transport. In this paper we develop a theoretical formulation of microbunching instability in the presence of IBS for single-pass or recirculation accelerators. To quantify MBI with inclusion of IBS, we start from the Vlasov-Fokker-Planck (VFP) equation, combining both collective interactions and incoherent IBS effects. The linearized VFP equation and the corresponding friction and diffusion coefficients are derived. The evolutions of the resultant density and energy modulations are formulated as a set of coupled integral equations. The theoretical formulation is then applied to a recirculating beamline design. The results from the semianalytical calculation are compared and show good agreement with massive particle tracking simulations.

43 PARTICLE ACCELERATORS↗

Final Booster Complex Design for the Jefferson Lab Electron Ion Collider*

In this work we show the final iteration of the design for the booster complex of the Jefferson Lab EIC, which would have brought the ions from an energy (proton) of 150 MeV up to 12.1 GeV. This complex would have consisted of two figure-8 rings. The Low Energy Booster (LEB) which would have accelerated its protons from 150 MeV to 8 GeV, and has had its lattice tweaked to increase the effectiveness of chromaticity cancellations. The High Energy Booster (HEB) would have brought the 8 GeV protons up to 12.1 GeV. The HEB would in the tunnel that was designed for the collider rings, sitting on top of them. It has had a bypass around the interaction region added, as well as a cooling solenoid installed.

Nissen, E. A.↗

Correlated solvent coordinates accelerate multi-donor proton-coupled electron transfer

The rate of charge transfer within a discrete donor–acceptor (D/A) pair is well-described by semi-classical electron transfer theory, but the effects of multiple equivalent redox sites remain less understood. We report a series of ground-state intramolecular proton-coupled electron transfer (PCET) complexes designed to isolate the effects of donor number, N, while holding geometry, coupling, and driving forces constant. The [Ru(L) 3−N (OH) N ] 2+ complexes incorporate one, two, or three identical phenolic electron donors linked to Ru through rigid phenanthroline bridges (OH = 2,4-di-tert-butyl-6-(1-methyl-1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)phenol). Upon flash photolysis and oxidative quenching with methyl viologen (MV 2+ ), the transient Ru(III) oxidizes an appended phenol by PCET with the hydrogen-bonded imidazole nitrogen atom functioning as the base. The rate increased by 3.4-fold and 5.7-fold (1.7-fold and 1.9-fold after statistical correction) for two- and three-donor complexes compared to the single-donor system. The supra-statistical acceleration is attributed to a reduced effective outer sphere reorganization energy (λ m ) modeled by a partially shared solvent reaction coordinate, in which a subset of solvent dipoles is already oriented to stabilize charge from any donor. The final phenoxyl radical state is localized due to the transfer of a proton, and the recombination reaction with the viologen radical is not accelerated. These results demonstrate the effects of solvent dynamics on intramolecular PCET rates, offering a new strategy for the design of synthetic charge transfer systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Water Mediated Proton Hopping Furazan Mechanism that Accelerates the Decomposition of TATB

The dominant initial decomposition mechanism of TATB is believed to be a dehydration reaction that forms mono- and di-furazans, although other mechanisms have been reported. In this work, a mono-furazan mechanism is discovered that involves a proton hopping process between TATB and water. A first principles nudge elastic band calculation was performed that shows the mechanism has an energy barrier of 44.1 kcal/mol, 25.4 kcal/mol lower than the monofurazan mechanism without water. The reaction rate of the proton hopping mechanism was found to be 10 7 to 10 12 times (at 300-600 K) higher than the mechanism without water. Metadynamics simulations were also performed that indicate the mechanism is qualitatively more probable at lower temperatures (near 300 K) and higher pressures (near 100 bar), although a quantitative confirmation is needed. Future work should focus on modeling the proton hopping mechanism in the condensed state at elevated temperatures (near 600 K).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗