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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 1,351 records · Page 75

Laser induced phase transition in epitaxial FeRh layers studied by pump-probe valence band photoemission

We use time-resolved X-ray photoelectron spectroscopy to probe the electronic and magnetization dynamics in FeRh films after ultrafast laser excitations. We present experimental and theoretical results which investigate the electronic structure of FeRh during the first-order phase transition, identifying a clear signature of the magnetic phase. We find that a spin polarized feature at the Fermi edge is a fingerprint of the magnetic status of the system that is independent of the long-range ferromagnetic alignment of the magnetic domains. We use this feature to follow the phase transition induced by a laser pulse in a pump-probe experiment and find that the magnetic transition occurs in less than 50 ps and reaches its maximum in 100 ps.

36 MATERIALS SCIENCE↗

Questions to Heaven

Benjamin Fernando and colleagues report on the international cooperation involved InSight's attempt to gather seismic data from the arrival at Mars of China's Zhurong rover. In one of the first collaborations of its kind, scientists working on China's Tianwen-1 mission and NASA's InSight spacecraft worked together to try and detect the seismic signatures of the Zhurong Rover's arrival at Mars. Although no signal was recorded, we present here the results of the experiment in the hope that it may act as a guide for future collaborations of this kind.

79 ASTRONOMY AND ASTROPHYSICS↗

Disorder-Driven Transition from s ± to s + + Superconducting Order Parameter in Proton Irradiated Ba ( Fe 1 - x Rh x ) 2 As 2 Single Crystals

Here, microwave measurements of the London penetration depth and critical temperature T c were used to show evidence of a disordered-driven transition from s ± to s ++ order parameter symmetry in optimally doped Ba(Fe 1–x Rh x ) 2 As 2 single crystals, where disorder was induced by means of 3.5 MeV proton irradiation. Signatures of such a transition, as theoretically predicted, are found as a drop in the low-temperature values of the London penetration depth and a virtually disorder-independent superconducting T c . We show how these experimental observations can be described by multiband Eliashberg calculations in which the effect of disorder is accounted for in a suitable way. To this aim, an effective two-band approach is adopted, allowing us to treat disorder in a range between the Born approximation and the unitary limit.

36 MATERIALS SCIENCE↗

Kondo Signatures of a Quantum Magnetic Impurity in Topological Superconductors

We investigate the Kondo physics of a quantum magnetic impurity in two-dimensional topological superconductors (TSCs), either intrinsic or induced on the surface of a bulk topological insulator, using a numerical renormalization group technique. We show that, despite sharing the $\mathcal{p + ip}$ pairing symmetry, intrinsic and extrinsic TSCs host different physical processes that produce distinct Kondo signatures. Extrinsic TSCs harbor an unusual screening mechanism involving both electron and orbital degrees of freedom that produces rich and prominent Kondo phenomena, especially an intriguing pseudospin Kondo singlet state in the superconducting gap and a spatially anisotropic spin correlation. In sharp contrast, intrinsic TSCs support a robust impurity spin doublet ground state and an isotropic spin correlation. These results advance fundamental knowledge of novel Kondo phenomena in TSCs and suggest experimental avenues for their detection and distinction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The Enzyme Activity and Substrate Specificity of Two Major Cinnamyl Alcohol Dehydrogenases in Sorghum ( Sorghum bicolor ), SbCAD2 and SbCAD4

Cinnamyl alcohol dehydrogenase (CAD) catalyzes the final step in monolignol biosynthesis, reducing sinapaldehyde, coniferaldehyde, and p-coumaraldehyde to their corresponding alcohols in an NADPHdependent manner. Because of its terminal location in monolignol biosynthesis, the variation in substrate specificity and activity of CAD can result in significant changes in overall composition and amount of lignin. Our in-depth characterization of two major CAD isoforms, SbCAD2 (Brown midrib 6 [bmr6]) and SbCAD4, in lignifying tissues of sorghum (Sorghum bicolor), a strategic plant for generating renewable chemicals and fuels, indicates their similarity in both structure and activity to Arabidopsis (Arabidopsis thaliana) CAD5 and Populus tremuloides sinapyl alcohol dehydrogenase, respectively. This first crystal structure of a monocot CAD combined with enzyme kinetic data and a catalytic model supported by site-directed mutagenesis allows full comparison with dicot CADs andelucidates the potential signature sequence for their substrate specificity and activity. Here, the L119W/G301F-SbCAD4 double mutant displayed its substrate preference in the order coniferaldehyde > p-coumaraldehyde > sinapaldehyde, with higher catalytic efficiency than that of both wild-type SbCAD4 and SbCAD2. As SbCAD4 is the only major CAD isoform in bmr6 mutants, replacing SbCAD4 with L119W/G301F-SbCAD4 in bmr6 plants could produce a phenotype that is more amenable to biomass processing.

09 BIOMASS FUELS↗

Mutations that confer resistance to broadly-neutralizing antibodies define HIV-1 variants of transmitting mothers from that of non-transmitting mothers

Despite considerable reduction of mother-to-child transmission (MTCT) of HIV through use of maternal and infant antiretroviral therapy (ART), over 150,000 infants continue to become infected with HIV annually, falling far short of the World Health Organization goal of reaching <20,000 annual pediatric HIV cases worldwide by 2020. Prior to the widespread use of ART in the setting of pregnancy, over half of infants born to HIV-infected mothers were protected against HIV acquisition. Yet, the role of maternal immune factors in this protection against vertical transmission is still unclear, hampering the development of synergistic strategies to further reduce MTCT. It has been established that infant transmitted/founder (T/F) viruses are often resistant to maternal plasma, yet it is unknown if the neutralization resistance profile of circulating viruses predicts the maternal risk of transmission to her infant. In this study, we amplified HIV-1 envelope genes ( env ) by single genome amplification and produced representative Env variants from plasma of 19 non-transmitting mothers from the U.S. Women Infant Transmission Study (WITS), enrolled in the pre-ART era. Maternal HIV Env variants from non-transmitting mothers had similar sensitivity to autologous plasma as observed for non-transmitting variants from transmitting mothers. In contrast, infant variants were on average 30% less sensitive to paired plasma neutralization compared to non-transmitted maternal variants from both transmitting and non-transmitting mothers (p = 0.015). Importantly, a signature sequence analysis revealed that motifs enriched in env sequences from transmitting mothers were associated with broadly neutralizing antibody (bnAb) resistance. Altogether, our findings suggest that circulating maternal virus resistance to bnAb-mediated neutralization, but not autologous plasma neutralization, near the time of delivery, predicts increased MTCT risk. These results caution that enhancement of maternal plasma neutralization through passive or active vaccination during pregnancy may potentially drive the evolution of variants fit for vertical transmission.

59 BASIC BIOLOGICAL SCIENCES↗

Machine-Learning Enabled Evaluation of Probability of Piping Degradation In Secondary Systems of Nuclear Power Plants

The transition to condition-based, risk-informed automated maintenance will contribute to a significant reduction of operations and maintenance costs that account for the majority of nuclear power generation costs. Furthermore, of the operations and maintenance costs in U.S. plants, approximately 80% are labor costs. To address the issue of rising operating costs and economic viability, technologies used to perform online monitoring of piping and other secondary system structural components in commercial nuclear power plants (NPPs) are under evaluation. These online monitoring systems have the potential to identify when a more detailed inspection is needed using real time measurements, rather than at a pre-determined inspection interval thus reducing the maintenance cost. This paper describes distributed high-temperature stable fiber sensors fabricated in optical fibers through a roll-to-roll laser direct writing process using femtosecond lasers. Using phase-sensitive optical time domain reflectometry, distributed acoustic and vibration sensors can be developed and deployed to critical components and systems in NPPs to perform active measurements with spatial resolution down to 0.5-meter throughout the piping systems. Complex acoustic and vibration signatures harnessed by distributed sensors are registered and analyzed by artificial intelligence algorithms for degradation detection and flaw identification. Piping elbows with machined-in flaws were instrumented with fiber sensors. High-spatial-resolution data were used to develop and validate machine learning algorithms, including both linear and nonlinear regression, and classification. Additionally, classification and sensor analysis were also performed for data analysis. The paper concludes with recommendations and future work on applications of machine learning enabled high-resolution fiber sensors for piping degradation monitoring in current or future NPPs.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Survey of PFAS Treatment Technologies

Per- and polyfluoroalkyl substances (PFAS) are a group of manufactured chemicals that have caught the attention of many governmental agencies and researchers. These chemicals are highly stable and possess hydrophobic properties that lead to the widespread use of PFAS in aqueous film forming foams, and household products such as carpets, paper and non-stick cookware (Prevedouros et al., 2006). Regulatory and health advisories have focused determining a lifetime drinking water health advisory of 70 ng/L for PFOA and PFOS (USEPA, 2016). Other PFASs may be present in the environment, along with PFOA and PFOS, due to product manufacturing processes (Prevedouros et al., 2006). A variety of proprietary AFFF formulations were manufactured and sold during different timeframes, thereby complicating the signature and distribution of PFASs in groundwater beneath former firefighting training areas (McGuire et al., 2014). PFOA and PFOS are stable chemicals that persistent in the environment and are difficult to remediate. The understanding of the physicochemical properties and fate and transport of PFASs in groundwater is growing but is still limited (USEPA, 2012). Many traditional approaches such as coagulation and conventional water treatment are ineffective in treating PFOA and PFOS. Selecting the most appropriate remedial strategy for PFOA and PFOS is therefore challenging. In this survey findings from the literature on PFASs removal using various technologies were compiled.

54 ENVIRONMENTAL SCIENCES↗

Water foraging with dynamic roots in E3SM; The role of roots in terrestrial ecosystem memory on intermediate timescales (Final Technical Report)

Terrestrial ecosystems can show sustained responses to stress events that may last for years after the initial perturbation. This phenomenon is referred to as legacy or memory and it emerges from a set of ecosystem processes that are poorly captured by Earth System and Land Surface Models. Consequently, these models struggle to predict the impact that extreme climate events have on surface energy, carbon and hydrological exchange once a stressor such as drought has relaxed or in response to repeated exposure to stress. In this project, we set out to test how the addition of dynamic root profiles in land surface models impact the capacity for Earth System Models, such as the Department of Energy’s E3SM, to capture realistic legacy effects. Observations have shown that vegetation shifts their root profiles during stress events to forage for water and these altered root profiles may take years to relax back to the initial state. We hypothesized that the alteration of the belowground root structures may be a source of terrestrial ecosystem legacy that is missing from models. To test this idea we undertook three core activities. (1) We developed a global-scale analysis of the impact of dynamic roots on ecosystem legacy building from a recently developed dynamic root module. (2) We developed new root dynamics in the DOE’s Energy Land Model (ELM) that allowed not only root profiles to shift their profile but also simultaneously alter carbon allocation to fine root pools. We then tested the impact of these new dynamics with intensive sensitivity analysis at four long-term AmeriFlux sites. (3) We undertook detailed isotopic analysis of tree rings from these AmeriFlux sites to assess ecophysiological and ecohydrological legacy to stress events that can be used to benchmark the sensitivity experiments with ELM. From these core activities, we report the following key findings. Firstly, on a global scale, the addition of dynamic roots led to chronically water-stressed ecosystems recovering faster to climate stress while wetter ecosystem showed enhanced legacy. This is because across ecosystems, stress events were almost universally associated with water shortages that led to the development of deeper root profiles. These deeper root profiles proved beneficial for recovery from drought stress. While the root dynamics did not universally improve the modeled representation of legacy it showed complex transient dynamics that emerge from the addition of dynamic roots. Secondly, the sensitivity analysis illustrated long term shifts in rooting depths away from the prescribed default profile suggesting that initializing of root profiles could benefit from spin-up simulations that converge on locally optimized root profiles. In addition, by enabling dynamic allocation some of the sites predicted unrealistically low allocation to roots (and high allocation to leaves). While these changes did not dramatically alter modeled gross primary productivity, they illustrated that without more sophisticated root processes in models, there is little penalty to dramatically disinvest in roots. Thirdly, the isotopic analysis of tree rings showed highly distinct legacy responses across species and sites. For example, T. canadensis showed reduced transpiration the year after stress events illustrated by sustained elevated $\delta^{18}$O. In contrast, A saccharum displayed elevated $\delta^{13}$C associated with reduced stomatal conductance in response to the previous years’ stress event. These geochemical signatures of legacy were present despite tree growth returning to normal the year after the stress. The results show the importance of species-level dynamics in legacy that are absent in modeling that assumes common traits within plant functional types. In summary, the work here established new avenues to explore root dynamics in models while illustrating how additional root processes are needed before dynamic carbon allocation can be implemented. Lastly, this project provided mentorship to a postdoctoral fellow, training for an early career scientist and multiple undergraduate students recruited from a minority serving institution.

54 ENVIRONMENTAL SCIENCES↗

Annual Fossil-Fuel CO2 Emissions: Isomass of Emissions Gridded by One Degree Latitude by One Degree Longitude (V. 2015)

The monthly, isotopic (δ 13C) fossil-fuel CO2 emissions estimates from 1950-2013 provided in this database are derived from time series of global, regional, and national fossil-fuel CO2 emissions (Boden et al. 2016), the references therein, and the methodology described in Andres et al. (2011). The data accessible here take these tabular, national, mass-emissions data, multiply them by stable carbon isotopic signatures (δ 13C) as described in Andres et al. (2000), and distribute them spatially on a one degree latitude by one degree longitude grid. The within-country spatial distribution is achieved through a fixed population distribution as reported in Andres et al. (1996). Note that the mass-emissions data used here are based on fossil-fuel consumption estimates as these are more representative of within country emissions than fossil-fuel production estimates (see http://cdiac.ess-dive.lbl.gov/faq.html#Q10 for a description why emission totals based upon consumption differ from those based upon production).

54 ENVIRONMENTAL SCIENCES↗

Monthly Fossil-Fuel CO2 Emissions: Isomass of Emissions Gridded by One Degree Latitude by One Degree Longitude

The basic data provided in these data files are derived from time series of Global, Regional, and National Fossil-Fuel CO2 Emissions (http://cdiac.ess-dive.lbl.gov/trends/emis/overview_2011.html), the references therein, and the methodology described in Andres et al. (2011). The data accessible here take these tabular, national, mass-emissions data, multiply them by stable carbon isotopic signature (del 13C) as described in Andres et al. (2000), and distribute them spatially on a one degree latitude by one degree longitude grid. The within-country spatial distribution is achieved through a fixed population distribution as reported in Andres et al. (1996). Note that the mass-emissions data used here are based on fossil-fuel consumption estimates as these are more representative of within country emissions than fossil-fuel production estimates (see http://cdiac.ess-dive.lbl.gov/faq.html#Q10 for a description why emission totals based upon consumption differ from those based upon production).

54 ENVIRONMENTAL SCIENCES↗

Evolutionary Divergence of Marinobacter Strains in Cryopeg Brines as Revealed by Pangenomics

Marinobacter spp. are cosmopolitan in saline environments, displaying a diverse set of metabolisms that allow them to competitively occupy these environments, some of which can be extreme in both salinity and temperature. Here, we introduce a distinct cluster of Marinobacter genomes, composed of novel isolates and in silico assembled genomes obtained from subzero, hypersaline cryopeg brines, relic seawater-derived liquid habitats within permafrost sampled near Utqiaġvik, Alaska. Using these new genomes and 45 representative publicly available genomes of Marinobacter spp. from other settings, we assembled a pangenome to examine how the new extremophile members fit evolutionarily and ecologically, based on genetic potential and environmental source. This first genus-wide genomic analysis revealed that Marinobacter spp. in general encode metabolic pathways that are thermodynamically favored at low temperature, cover a broad range of organic compounds, and optimize protein usage, e.g., the Entner–Doudoroff pathway, the glyoxylate shunt, and amino acid metabolism. The new isolates contributed to a distinct clade of subzero brine-dwelling Marinobacter spp. that diverged genotypically and phylogenetically from all other Marinobacter members. The subzero brine clade displays genomic characteristics that may explain competitive adaptations to the extreme environments they inhabit, including more abundant membrane transport systems (e.g., for organic substrates, compatible solutes, and ions) and stress-induced transcriptional regulatory mechanisms (e.g., for cold and salt stress) than in the other Marinobacter clades. We also identified more abundant signatures of potential horizontal transfer of genes involved in transcription, the mobilome, and a variety of metabolite exchange systems, which led to considering the importance of this evolutionary mechanism in an extreme environment where adaptation via vertical evolution is physiologically rate limited. Assessing these new extremophile genomes in a pangenomic context has provided a unique view into the ecological and evolutionary history of the genus Marinobacter , particularly with regard to its remarkable diversity and its opportunism in extremely cold and saline environments.

59 BASIC BIOLOGICAL SCIENCES↗

Engineering Tree Seasonal Cycles of Growth Through Chromatin Modification

In temperate and boreal regions, perennial trees arrest cell division in their meristematic tissues during winter dormancy until environmental conditions become appropriate for their renewed growth. Release from the dormant state requires exposure to a period of chilling temperatures similar to the vernalization required for flowering in Arabidopsis. Over the past decade, genomic DNA (gDNA) methylation and transcriptome studies have revealed signatures of chromatin regulation during active growth and winter dormancy. To date, only a few chromatin modification genes, as candidate regulators of these developmental stages, have been functionally characterized in trees. In this work, we summarize the major findings of the chromatin-remodeling role during growth-dormancy cycles and we explore the transcriptional profiling of vegetative apical bud and stem tissues during dormancy. Finally, we discuss genetic strategies designed to improve the growth and quality of forest trees.

59 BASIC BIOLOGICAL SCIENCES↗

Pan-spectral observing system simulation experiments of shortwave reflectance and long-wave radiance for climate model evaluation

Abstract. Top-of-atmosphere (TOA) spectrally resolved shortwave reflectances and long-wave radiances describe the response of the Earth's surface and atmosphere to feedback processes and human-induced forcings. In order to evaluate proposed long-duration spectral measurements, we have projected 21st Century changes from the Community Climate System Model (CCSM3.0) conducted for the Intergovernmental Panel on Climate Change (IPCC) A2 Emissions Scenario onto shortwave reflectance spectra from 300 to 2500 nm and long-wave radiance spectra from 2000 to 200 cm –1 at 8 nm and 1 cm –1 resolution, respectively. The radiative transfer calculations have been rigorously validated against published standards and produce complementary signals describing the climate system forcings and feedbacks. Additional demonstration experiments were performed with the Model for Interdisciplinary Research on Climate (MIROC5) and Hadley Centre Global Environment Model version 2 Earth System (HadGEM2-ES) models for the Representative Concentration Pathway 8.5 (RCP8.5) scenario. The calculations contain readily distinguishable signatures of low clouds, snow/ice, aerosols, temperature gradients, and water vapour distributions. The goal of this effort is to understand both how climate change alters reflected solar and emitted infrared spectra of the Earth and determine whether spectral measurements enhance our detection and attribution of climate change. This effort also presents a path forward to understand the characteristics of hyperspectral observational records needed to confront models and inline instrument simulation. Such simulation will enable a diverse set of comparisons between model results from coupled model intercomparisons and existing and proposed satellite instrument measurement systems.

54 ENVIRONMENTAL SCIENCES↗

Retrieving 4-dimensional atmospheric boundary layer structure from surface observations and profiles over a single station

Most routine measurements from climate study facilities, such as the Department of Energy’s ARM SGP site, come from individual sites over a long period of time. While single-station data are very useful for many studies, it is challenging to obtain 3-dimensional spatial structures of atmospheric boundary layers that include prominent signatures of deep convection from these data. The principal objective of this project is to create realistic estimates of high-resolution (~ 1km × 1km horizontal grids) atmospheric boundary layer structure and the characteristics of precipitating convection. These characteristics include updraft and downdraft cumulus mass fluxes and cold pool properties over a region the size of a GCM grid column from analyses that assimilate surface mesonet observations of wind, temperature, and water vapor mixing ratio and available profiling data from single or multiple surface stations. The ultimate goal of the project is to enhance our understanding of the properties of mesoscale convective systems and also to improve their representation in analysis and numerical simulations. During the proposed period (09/15/2011–09/14/2014) and the no-cost extension period (09/15/2014–09/14/2015), significant accomplishments have been achieved relating to the stated goals. Efforts have been extended to various research and applications. Results have been published in professional journals and presented in related science team meetings and conferences. These are summarized in the report.

54 ENVIRONMENTAL SCIENCES↗

Electronic nose for space program applications

The ability to monitor air contaminants in the shuttle and the International Space Station is important to ensure the health and safety of astronauts, and equipment integrity. Three specific space applications have been identified that would benefit from a chemical monitor: (a) organic contaminants in space cabin air; (b) hypergolic propellant contaminants in the shuttle airlock; (c) pre-combustion signature vapors from electrical fires. NASA at Kennedy Space Center (KSC) is assessing several commercial and developing electronic noses (E-noses) for these applications. A short series of tests identified those E-noses that exhibited sufficient sensitivity to the vapors of interest. Only two E-noses exhibited sufficient sensitivity for hypergolic fuels at the required levels, while several commercial E-noses showed sufficient sensitivity of common organic vapors. These E-noses were subjected to further tests to assess their ability to identify vapors. Development and testing of E-nose models using vendor supplied software packages correctly identified vapors with an accuracy of 70-90%. In-house software improvements increased the identification rates between 90 and 100%. Further software enhancements are under development. Details on the experimental setup, test protocols, and results on E-nose performance are presented in this paper along with special emphasis on specific software enhancements. c2003 Elsevier Science B.V. All rights reserved.

Air Pollution, Indoor/analysis↗

Lunar and Planetary Science XXXVI, Part 7

Topics discussed include: Lunar Geologic Mapping: Preliminary Mapping of Copernicus Quad High-Resolution Topography of Layers in the Valles Marineris Via Thermoclinometry ; The Critical Importance of Data Reduction Calibrations in the Interpretability of S-type Asteroid Spectra; (sup 238)U-(sup 206)Pb Age and Uranium-Lead Isotope Systematics of Mare Basalt 10017; Morphological Investigations of Martian Spherules, Comparisons to Collected Terrestrial Counterparts; The Vapor Pressure of Palladium at Temperatures up to 1973K; Areas of Favorable Illumination at the Lunar Poles Calculated from Topography; An Indigenous Origin for the South Pole-Aitken Basin Thorium Anomaly; Ar-Ar Ages of Nakhlites Y000593, NWA998, and Nakhla and CRE Ages of NWA998; Experiments on the Acoustic Properties of Titan-like Atmospheres; Analysis of Downstream Transitions in Morphology and Structure of Lava Channels on Mars; Structure and Bonding of Carbon in Clays from CI Carbonaceous Chondrites; Comparison of Three Hydrogen Distributions at the Equator of Mars; An Impact Origin for the Foliation of Ordinary Chondrites; A New Micrometeorite Collection from Antarctica and Its Preliminary Characterization by Microobservation, Microanalysis and Magnetic Methods; Volcanic Plumes and Plume Deposits on Io; Results of the Alpha-Particle-X-Ray Spectrometer on Board of the Mars Exploration Rovers; Effects of Oceans on Atmospheric Loss During the Stage of Giant Impacts; and Identification of Predominant Ferric Signatures in Association to the Martian Sulfate Deposits

Source record↗

Accelerating dissipative particle dynamics simulations on GPUs: Algorithms, numerics and applications

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores and almost linear weak scaling across a thousand nodes. A unified framework is developed within which the efficient generation of the neighbor list and maintaining particle data locality are addressed. Our algorithm generates strictly ordered neighbor lists in parallel, while the construction is deterministic and makes no use of atomic operations or sorting. Such neighbor list leads to optimal data loading efficiency when combined with a two-level particle reordering scheme. A faster in situ generation scheme for Gaussian random numbers is proposed using precomputed binary signatures. We designed custom transcendental functions that are fast and accurate for evaluating the pairwise interaction. The correctness and accuracy of the code is verified through a set of test cases simulating Poiseuille flow and spontaneous vesicle formation. Computer benchmarks demonstrate the speedup of our implementation over the CPU implementation as well as strong and weak scalability. A large-scale simulation of spontaneous vesicle formation consisting of 128 million particles was conducted to further illustrate the practicality of our code in real-world applications.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗