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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 289 records · Page 16

Effect of Drying on Corrosion Mitigation of Hanford Transfer Lines

Radioactive waste is stored in underground, carbon-steel double-shell tanks at the Department of Energy Hanford site. The waste is transferred between the tanks and other assets using the transfer lines spanning throughout the various tank farms at Hanford. The transfer lines consist of a pipe-in-pipe design, small diameter pipes, and are not piggable. Recent inspection data of the transfer lines have shown areas with corrosion on both interior of the encasements and exterior of the primary pipes, with nearly 50 percent wall loss on the primary pipes and nearly 25% wall loss on the encasement pipes due to pitting corrosion. The visual inspections of the transfer lines have shown presence of corrosion products near the pipeline risers and beyond. It has been hypothesized that the corrosion is predominantly due to the high humidity conditions and in some cases is driven by the presence of residual hydrotest water in the encasement and the associated contact with the safety significant primary pipe. Therefore, drying of the transfer lines could lead to corrosion mitigation. Experimental studies are being conducted to understand the effect of environmental conditions, especially, relative humidity and temperature, on transfer line grade carbon steel corrosion and on mitigating corrosion. The experimental conditions are selected based on the seasonal temperature changes, and relative humidity conditions ranging from 30 to 100 percent. The experimental data will be used as guidance for maintaining a dry environment that will help mitigate the transfer-line corrosion caused by the high humidity conditions.

Shukla, Pavan K.↗

Smooth splitting and zeros from on-shell recursion

We describe a new approach to understanding the origins of recently discovered “hidden zeros” and “smooth splitting” of tree-level amplitudes in Tr ϕ 3 , Non-Linear Sigma Model (NLSM), Yang-Mill-Scalar (YMS) and the special Galileon. Introducing a new type of linear shift in kinematic space we demonstrate that the mysterious splitting formulae follow from a simple contour integration argument in the style of on-shell recursion. The argument makes use of only standard notions of tree-level factorization on propagators, but assumes improved UV behavior in the form of the absence of a residue at infinity. In the case of Tr ϕ 3 and NLSM this is proven by identifying our shift as a special case of a more general construction called a g-vector shift; in the case of YMS it remains an unproven conjecture. This recursive perspective leads to numerous new results: we derive generalizations of the splitting formulae on more relaxed near-zero kinematics, including interesting new kinematic limits in which the amplitude splits into a triple-product; we also demonstrate that the uncolored special Galileon model has improved UV scaling and hence also splits. We also investigate the possible realization of hidden zeros in four dimensions. The conditions under which the dimensionality constraints are compatible with zero kinematics is investigated in detail for Tr ϕ 3 and YMS; for the latter we find they can be realized only with certain restrictions on external helicity states. The realizable 4d zeros are proven by a similar recursive argument based on BCFW and is found to generalize to a new class of intrinsically 4d “helicity zeros” present in all sectors of YM and also gravity.

effective field theories↗

Lower-length-scale modeling of chemical additions, corrosion and fission products in select MSR base salts

Molten salts play a crucial role in advancing Generation IV nuclear energy technology, with chloride-based salts like NaCl-UCl 3 garnering significant attention due to their distinctive properties. However, the corrosive nature of molten salts causes the dissolution of chromium (Cr), leading to the formation of CrCl 2 and CrCl 3 species in molten chlorides. Moreover, the radioactive decay of nuclear fuel gives rise to fission products, including Cs, Sr, and I chlorides. The first part of this report presents a comprehensive study utilizing ab initio molecular dynamics (AIMD) simulations to investigate the properties of eutectic NaCl-UCl 3 molten salt in the presence of corrosion products (CrCl 2 and CrCl 3 ) and fission product (CsCl). The study focuses on essential structural and thermophysical properties such as density, mixing energy, coordination numbers (CN), and Radial Distribution Functions (RDF) of the salts with varying compositions of corrosion products and fission product, covering a range from 0% to 13.5%. The results offer valuable insights into the behavior of corrosion and fission products in uranium-based molten salts, providing essential data that can be used as input to the MTDB-TC and MSTDB-TP property databases being developed by the NEAMS program. Due to their favorable characteristics such as low melting points, high boiling points, and low costs, MgCl 2 +NaCl+KCl (MNK) eutectic salts have recently attracted attention as high-temperature heat transfer fluids. The incorporation of LiCl into MNK salts can further reduce their melting points and increase their specific heat capacities, which is de- sirable for high-temperature heat transfer applications. The second part of this report presents the development and validation of a new shell-model potential for the MgCl 2 +NaCl+KCl+LiCl system, which captures the polarization of Cl anions. The extensive comparison with experimental data and AIMD simulations demonstrates the accuracy and reliability of the potential. Furthermore, using this potential, we elucidate the intricate network structure in MNK eutectic salts that is formed through polyhedron sharing. This research contributes to a fundamental understanding of the atomic structures and thermophysical properties of multi-component molten salts, which is crucial for future development of heat transfer fluids for applications in molten salt reactors.

36 MATERIALS SCIENCE↗

Metallic Coating of Cerium Oxide Microspheres

The ability to remove heat is paramount to nuclear fuel performance and longevity. Retaining fission product and separating fuel from reactor coolant and the environment is also necessary to prevent radiological contamination. Conventional nuclear fuel for commercial light water reactors and radioisotope power systems (RPS) is composed of oxide powders pressed into a pellet (cm-scale) and then sealed into a metal cladding to confine the fuel. What typical fuels lack is a method to surround each particle of nuclear fuel in metal, thus providing a more intimate protection layer for accident tolerance and boosting the thermal extraction from the fuel element. In such a way, metal-coated fuel particles increase heat extraction efficiency over clad-pellet designs while increasing the accident tolerance of the fuel. Metal oxide microspheres have wide-ranging applications, including the realm of fuels for nuclear reactors and RPS. Microspheres of uranium oxide/uranium carbide, mixed uranium/plutonium oxides, transuranics, and thorium fuels have been extensively studied. Pacific Northwest National Laboratory has also demonstrated the production of 238 PuO 2 microspheres for RPS applications. Metal-coated oxide microsphere fuels may also be attractive for other applications such as nuclear thermal rockets, future nuclear reactor designs, and catalysts.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Modelling R Coronae Borealis stars: effects of He-burning shell temperature and metallicity

The R Coronae Borealis (RCB) stars are extremely hydrogen-deficient carbon stars that produce large amounts of dust, causing sudden deep declines in brightness. They are believed to be formed primarily through white dwarf mergers. In this paper, we use mesa to investigate how post-merger objects with a range of initial He-burning shell temperatures from 2.1 to 5.4 × 10 8 K with solar and subsolar metallicities evolve into RCB stars. The most successful model of these has subsolar metallicity and an initial temperature near 3 × 10 8 K. We find a strong dependence on initial He-burning shell temperature for surface abundances of elements involved in the CNO cycle, as well as differences in effective temperature and radius of RCBs. Elements involved in nucleosynthesis present around 1 dex diminished surface abundances in the 10 per cent solar metallicity models, with the exception of carbon and lithium that are discussed in detail. Models with subsolar metallicities also exhibit longer lifetimes than their solar counterparts. In addition, we find that convective mixing of the burned material occurs only in the first few years of post-merger evolution, after which the surface abundances are constant during and after the RCB phase, providing evidence for why these stars show a strong enhancement of partial He-burning products.

79 ASTRONOMY AND ASTROPHYSICS↗

Role of carboxysomes in cyanobacterial CO 2 assimilation: CO 2 concentrating mechanisms and metabolon implications

Many carbon-fixing organisms have evolved CO 2 concentrating mechanisms (CCMs) to enhance the delivery of CO 2 to RuBisCO, while minimizing reactions with the competitive inhibitor, molecular O 2 . These distinct types of CCMs have been extensively studied using genetics, biochemistry, cell imaging, mass spectrometry, and metabolic flux analysis. Highlighted in this paper, the cyanobacterial CCM features a bacterial microcompartment (BMC) called ‘carboxysome’ in which RuBisCO is co-encapsulated with the enzyme carbonic anhydrase (CA) within a semi-permeable protein shell. Further, the cyanobacterial CCM is capable of increasing CO 2 around RuBisCO, leading to one of the most efficient processes known for fixing ambient CO 2 . The carboxysome life cycle is dynamic and creates a unique subcellular environment that promotes activity of the Calvin–Benson (CB) cycle. The carboxysome may function within a larger cellular metabolon, physical association of functionally coupled proteins, to enhance metabolite channelling and carbon flux. In light of CCMs, synthetic biology approaches have been used to improve enzyme complex for CO 2 fixations. Research on CCM-associated metabolons has also inspired biologists to engineer multi-step pathways by providing anchoring points for enzyme cascades to channel intermediate metabolites towards valuable products.

59 BASIC BIOLOGICAL SCIENCES↗

Time-resolved site-selective imaging of predissociation and charge transfer dynamics: the CH 3 I B-band

The predissociation dynamics of the 6s (B 2 E) Rydberg state of gas-phase CH 3 I were investigated by time-resolved Coulomb-explosion imaging using extreme ultraviolet (XUV) free-electron laser pulses. Inner-shell ionization at the iodine 4d edge was utilized to provide a site-specific probe of the ensuing dynamics. The combination of a velocity-map imaging (VMI) spectrometer coupled with the pixel imaging mass spectrometry (PImMS) camera permitted three-dimensional ionic fragment momenta to be recorded simultaneously for a wide range of iodine charge states. In accord with previous studies, initial excitation at 201.2 nm results in internal conversion and subsequent dissociation on the lower-lying A-state surface on a picosecond time scale. Examination of the time-dependent yield of low kinetic energy iodine fragments yields mechanistic insights into the predissociation and subsequent charge transfer following multiple ionization of the iodine products. The effect of charge transfer was observed through differing delay-dependencies of the various iodine charge states, from which critical internuclear distances for charge transfer could be inferred and compared to a classical over-the-barrier model. Time-dependent photofragment angular anisotropy parameters were extracted from the central slice of the Newton sphere, without Abel inversion, and highlight the effect of rotation of the parent molecule before dissociation, as observed in previous works. Our results demonstrate the ability to perform three-dimensional ion imaging at high event rates and showcase the potential benefits of this approach, particularly in relation to further time-resolved studies at free-electron laser facilities.

74 ATOMIC AND MOLECULAR PHYSICS↗

Xenon mobility in γ-uranium and uranium–molybdenum alloys

Diffusion in bcc uranium and U–Mo alloys is of great interest because fission gas and other fission products impact the performance of nuclear fuels. We investigate the mobility of xenon and molybdenum in bcc uranium (⁠$γ$-U) and metallic U–Mo alloys by calculating the migration energies of xenon and molybdenum for various local compositions using density functional theory. We also calculate the solute–vacancy binding energies of different solutes to vacancies in bcc uranium. We find that the solute–vacancy binding energy in bcc uranium is significantly higher than it is in other bcc metals (e.g., Fe and W). We also find that the migration energy of molybdenum is substantially higher than the migration energy of xenon, indicating that xenon is much more mobile than molybdenum in bcc uranium. The presence of molybdenum in the nearest-neighbor shell around a xenon atom typically increases the migration energy of xenon, which indicates a reduction of xenon mobility in U–Mo alloys compared to pure bcc uranium.

36 MATERIALS SCIENCE↗

Diagnosing up-scattered deuterium–tritium fusion neutrons produced in burning plasmas at the National Ignition Facility (invited)

In the push to higher performance fusion plasmas, two critical quantities to diagnose are α-heat deposition that can improve and impurities mixed into the plasma that can limit performance. In high-density, highly collisional inertial confinement fusion burning plasmas, there is a significant probability that deuterium–tritium (DT) fusion products, 14.1 MeV neutrons and 3.5 MeV α-particles, will collide with and deposit energy onto (“up-scatter”) surrounding deuterium and tritium fuel ions. These up-scattered D and T ions can then undergo fusion while in-flight and produce an up-scattered neutron (15–30 MeV). These reaction-in-flight (RIF) neutrons can then be uniquely identified in the measured neutron energy spectrum. Further, the magnitude, shape, and relative size of this spectral feature can inform models of stopping-power in the DT plasma and hence is directly proportional to α-heat deposition. In addition, the RIF spectrum can be related to mix into the burning fuel, particularly relevant for high-Z shell and other emerging National Ignition Facility platforms. The neutron time-of-flight diagnostic upgrades needed to obtain this small signal, ~10 –5 times the primary DT neutron peak, will be discussed. Results from several gain > 1 implosions will be shown and compared to previous RIF spectra. Finally, comparisons of experimental data to a simplified computational model will be made.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

BETO 2021 Peer Review - Rational Design of Robust Reactor Feeding Systems for Heterogeneous Cellulosic and Agricultural Wastes Based on Biomass Quality Characteristics

Consistent and reliable preprocessing, conveyance, and reactor in-feed systems, particularly for low-cost waste feedstocks, remains a major technical challenge for the emerging Bioeconomy. By identifying critical biomass attributes and connecting them to flow and conversion behavior, science-driven system designs can address these often-overlooked solids handling challenges. The Wonderful Company (TWC) is the world's largest almond and pistachio grower, generating 250,000 dry tons/year of waste material including hulls, shells, and wood (>5 million tons/year industry wide in the U.S.). This project seeks to turn this environmental and economic liability into a sustainable and profitable resource, targeting conversion via gasification to syngas for electricity and bio-char, by addressing related material handling and feeding challenges. Based on optimized preprocessing strategies, bulk material flow, and thermal conversion properties, an overall system design will be developed. The methodology will be tested with FCIC's benchmark loblolly pine residues, to demonstrate the robustness of the overall approach and provide insight and guidance for future systems. The project will culminate in extended field trials to demonstrate an improved continuous feeding system with a commercial biomass-to-electricity gasifier vendor, and an economic analysis demonstrating a reduction in electricity production costs by maximizing on-stream time while minimizing preprocessing and CapEx costs.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Nanosynthesis by atmospheric arc discharges excited with pulsed-DC power: a review

Plasma technology is actively used for nanoparticle synthesis and modification. All plasma techniques share the ambition of providing high quality, nanostructured materials with full control over their crystalline state and functional properties. Pulsed-DC physical/chemical vapour deposition, high power impulse magnetron sputtering, and pulsed cathodic arc are consolidated low-temperature plasma processes for the synthesis of high-quality nanocomposite films in vacuum environment. However, atmospheric arc discharge stands out thanks to the high throughput, wide variety, and excellent quality of obtained stand-alone nanomaterials, mainly core–shell nanoparticles, transition metal dichalcogenide monolayers, and carbon-based nanostructures, like graphene and carbon nanotubes. Unique capabilities of this arc technique are due to its flexibility and wide range of plasma parameters achievable by modulation of the frequency, duty cycle, and amplitude of pulse waveform. The many possibilities offered by pulsed arc discharges applied on synthesis of low-dimensional materials are reviewed here. Periodical variations in temperature and density of the pulsing arc plasma enable nanosynthesis with a more rational use of the supplied power. Parameters such as plasma composition, consumed power, process stability, material properties, and economical aspects, are discussed. Lastly a brief outlook towards future tendencies of nanomaterial preparation is proposed. Atmospheric pulsed arcs constitute promising, clean processes providing ecological and sustainable development in the production of nanomaterials both in industry and research laboratories.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Impact of wildfires on regional ozone and PM 2.5 : Considering the light absorption of Brown carbon

The influence of wildfire brown carbon (BrC) in moderating the formation of O 3 and fine particulate matter (PM 2.5 ) due to its absorption of ultraviolet (UV) radiation is, for the first time, investigated using a modified community multiscale air quality (CMAQ) model. The wavelength-dependent imaginary refractive index of the organic carbon from wildfires, which are needed by the CMAQ model for its inline photolysis rate calculation, are generated experimentally from wood burning aerosols from a combustion chamber. On high emission days of the Bastrop County Complex fire in Texas in early September 2011, BrC UV absorption reduces the daytime average NO 2 photolysis rate by up to 38% in the core region of the wildfire plume compared to the base scenario that does not consider BrC absorption. Consequently, O 3 production in the smoke plume is suppressed compared to the base scenario due to reduced HO x radical concentrations. Further, in the core region, the predicted O 3 increase due to wildfire reaches as high as 47–123 ppb without considering BrC absorption, the predicted increase of O 3 is 5–15% lower when BrC absorption is considered. Similarly, considering the BrC UV absorption leads to approximately 1% (or ~2–3 µgm -3 ) lower estimation of the wildfire emissions’ impact on total PM 2.5 . This change is small because secondary aerosols, which are the components affected by BrC absorption, only account for a small fraction of the total PM 2.5 in wildfire impacted regions in this study. In addition, our study shows that assumptions about aerosol mixing state (core-shell vs. homogeneous) in the inline photolysis rate calculation would not significantly affect out assessment of the impact of wildfire BrC light absorption on O 3 and PM 2.5 .

54 ENVIRONMENTAL SCIENCES↗

Evaluation of 3D Simulation Capabilities within xRAGE using a Suite of Test Problems

This presentation describes a 3D verification and validation suite for xRAGE. Three verification test problems for hydrodynamics are presented: the Kidder ball problem, the Verney shell problem, and a 5-material compression problem. There is excellent agreement between 2D and 3D XRAGE simulation results for these problems, and between the xRAGE results and the benchmark solutions. In addition, two 3D ICF test problems are presented, based on an OMEGA direct drive capsule experiment, and on a NIF indirect drive capsule experiment. These two ICF test problems are used to evaluate two hydrodynamic methods within xRAGE. In addition to hydrodynamics the simulations also include three temperature plasma physics, thermal conduction and radiation diffusion. When simulating either capsule in 3D the newer unsplit hydrodynamic method in xRAGE produces more vorticity relative to the older default method. For the indirect drive capsule the 3D simulations are in reasonable agreement with the experimental values of ion temperature and neutron production. Unstable 3D vortex rings are present near the DT ice/carbon interface which enhance the confinement of the DT ice.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Summary of NDC Capacity Building Workshop and Regional Seismic Travel Time (RSTT) in combination with Data Sharing and Integration Training

The NNSA Seismic Cooperation Program (SCP) sponsored Stephen Myers (LLNL), Michael Begnaud (LANL), Brian Young (SNL) and Istvan Bondar (Research Center for Astronomy and Earth Sciences, Hungary) to serve as a presenters/trainers at the “NDC Capacity Building Workshop and Regional Seismic Travel Time (RSTT) in combination with Data Sharing and Integration Training” September 4-8 2022 in Muscat, Oman (See Appendix A for the agenda). The workshop and training (workshop from here forward) was organized by the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO) Provisional Technical Secretariat (PTS). The first half of the week was devoted to NDC workshop activities, and the second half was devoted to RSTT training. Fifty-five participants from 27 countries and the CTBTO-PTS attended the 5-day workshop (See Appendix B for list of participants and countries of origin). Presentations from the PTS described the International Monitoring System (IMS), International Data Centre (IDC) products, and metrics of regional data utilization. Contributed presentations from each country’s scientists included descriptions of regional and national networks, methods of data analysis, and needs for material and technical assistance. Training included an overview of the RSTT method and instruction on how to locate seismic events with the iLoc program, which utilizes RSTT travel times to reduce bias in event location estimates. Methods of seismic tomography and the need for a high-quality tomographic set, including seismological “ground truth”, were emphasized. Seismological “ground truth” or “GT” is a term that has come to mean both events with known location and events with well-characterized locations that are estimated using seismological data, typically with epicenter accuracy of 5 km or better. Notably, the instructional platform has migrated from UNIX shell scripts to Jupyter Notebooks. Jupyter Notebooks have the advantage being more visually intuitive, including display of graphics within the notebook. Each notebook includes every processing step that participants need to reproduce the entire exercise.

58 GEOSCIENCES↗

Search for physics beyond the standard model in top quark production with additional leptons in the context of effective field theory

A search for new physics in top quark production with additional final-state leptons is performed using data collected by the CMS experiment in proton-proton collisions at $ \sqrt{s} $ = 13 TeV at the LHC during 2016–2018. The data set corresponds to an integrated luminosity of 138 fb$^{−1}$. Using the framework of effective field theory (EFT), potential new physics effects are parametrized in terms of 26 dimension-six EFT operators. The impacts of EFT operators are incorporated through the event-level reweighting of Monte Carlo simulations, which allows for detector-level predictions. The events are divided into several categories based on lepton multiplicity, total lepton charge, jet multiplicity, and b-tagged jet multiplicity. Kinematic variables corresponding to the transverse momentum (p$_{T}$) of the leading pair of leptons and/or jets as well as the p$_{T}$ of on-shell Z bosons are used to extract the 95% confidence intervals of the 26 Wilson coefficients corresponding to these EFT operators. No significant deviation with respect to the standard model prediction is found.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Localized High Concentration Electrolyte and Its Effects on Polysulfide Structure in Solution

Lithium–sulfur batteries (LiSB) are a promising next-generation lithium energy storage technology that offers a multifold improvement over the traditional lithium-ion battery. However, the LiSB still faces the unresolved issue of the polysulfide shuttle effect. This phenomenon arises from the dissolution of sulfur intermediate reduction products into the electrolyte, which then causes a cascade of issues throughout the battery. Many mitigation strategies have been proposed to counteract this effect including the use of novel electrolyte compositions. Recently, there has been increased focus on the use of hydrofluorinated ethers as a major constituent of an electrolyte for lithium batteries. Previous studies have reported that the presence of these species create localized high concentration electrolytes (LHCE) which can have many advantages resulting in improved battery performance. Here, we report on how the inclusion of a hydrofluorinated ether BTFE (bis(2,2,2-trifluoroethyl) ether) modifies the general properties of a LiSB electrolyte and the structure of dissolved polysulfide species in the electrolyte. Here, we found that the inclusion of BTFE does not modify the primary solvation structure of Li + directly but actively participates in secondary solvation shells. With a high concentration of BTFE, the LHCE formation is observed by the presence of clusters of non-BTFE molecules. The structure of polysulfide species in solution was modified by the BTFE in the same way. Much of the primary solvation structure was kept, but the presence of BTFE increased polysulfide–polysulfide clustering. These results indicate that the polysulfide solubility will be limited due to the promotion of clustering.

25 ENERGY STORAGE↗

Imaging plasma formation in isolated nanoparticles with ultrafast resonant scattering

We have recorded the diffraction patterns from individual xenon clusters irradiated with intense extreme ultraviolet pulses to investigate the influence of light-induced electronic changes on the scattering response. The clusters were irradiated with short wavelength pulses in the wavelength regime of different 4d inner-shell resonances of neutral and ionic xenon, resulting in distinctly different optical properties from areas in the clusters with lower or higher charge states. The data show the emergence of a transient structure with a spatial extension of tens of nanometers within the otherwise homogeneous sample. Simulations indicate that ionization and nanoplasma formation result in a light-induced outer shell in the cluster with a strongly altered refractive index. The presented resonant scattering approach enables imaging of ultrafast electron dynamics on their natural timescale.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Precision measurement of the magnetic field in run 1 of the g-2 experiment

The Proton Improvement Plan-II (PIP-II) is a superconducting linear accelerator being built at Fermilab that will provide 800 MeV proton beam for neutrino production. The linac consists of a total of twenty-three (23) cryomodules of five (5) different types. Cooling is required at 2K, 5K and 40K. The Cryogenic Distribution System (CDS) consists of a Distribution Valve Box, ~285 m of cryogenic transfer line, modular Bayonet Cans to interface with cryomodules, and a Turnaround Can. The cryogenic system must provide protection from over-pressure by sizing pressure relief devices for all volumes and process line circuits. The cryomodule cavity circuits have dual pressure ratings, 4.1 bara when cold and 2.05 bara when warm (T>80K). Worst case relieving cases will be identified. The methods for determining heat flux will be presented. For the relieving occurring in the linac tunnel, flow must vent to outside to avoid an oxygen deficiency hazard. Also, we will present vacuum vessel relief sizing to protect the cryogenic distribution system vacuum shells from over pressure during an internal line rupture. The project is funded by US DOE Offices of Science, High Energy Physics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗