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The Glory Program: Global Science from a Unique Spacecraft Integration

The Glory program is an Earth and Solar science mission designed to broaden science community knowledge of the environment. The causes and effects of global warming have become a concern in recent years and Glory aims to contribute to the knowledge base of the science community. Glory is designed for two functions: one is solar viewing to monitor the total solar irradiance and the other is observing the Earth s atmosphere for aerosol composition. The former is done with an active cavity radiometer, while the latter is accomplished with an aerosol polarimeter sensor to discern atmospheric particles. The Glory program is managed by NASA Goddard Space Flight Center (GSFC) with Orbital Sciences in Dulles, VA as the prime contractor for the spacecraft bus, mission operations, and ground system. This paper will describe some of the more unique features of the Glory program including the integration and testing of the satellite and instruments as well as the science data processing. The spacecraft integration and test approach requires extensive analysis and additional planning to ensure existing components are successfully functioning with the new Glory components. The science mission data analysis requires development of mission unique processing systems and algorithms. Science data analysis and distribution will utilize our national assets at the Goddard Institute for Space Studies (GISS) and the University of Colorado's Laboratory for Atmospheric and Space Physics (LASP). The Satellite was originally designed and built for the Vegetation Canopy Lidar (VCL) mission, which was terminated in the middle of integration and testing due to payload development issues. The bus was then placed in secure storage in 2001 and removed from an environmentally controlled container in late 2003 to be refurbished to meet the Glory program requirements. Functional testing of all the components was done as a system at the start of the program, very different from a traditional program. The plan for Glory is to minimize any changes to the spacecraft in order to meet the Glory requirements. This means that the instrument designs must adhere to the existing interfaces and capabilities as much as possible. Given Glory's unique history and the potential science return, the program is one of significant value to both the science community and the world. The findings Glory promises will improve our understanding of the drivers for global climate change for a minimal investment. The program hopes to show that reuse of existing government assets can result in a lower cost, and fully successful mission.

Bajpayee Jaya↗

Dual morphology (fibres and particles) cellulosic filler for WPC materials

Wood-plastic composites (WPC) were fabricated by using a polyethylene (PE) matrix and filling it with wood flour in the amount of 30 wt.%, and compared with the same composites with further amount of 10 wt.% of cellulosic recycled fibres added. The materials were produced by turbomixing and subsequent moulding under pressure. Mechanical properties of both WPC and WPC with cellulosic recycled fibres were evaluated through mechanical and physical-chemical tests. Tensile tests clarified that a moderate reduction is strength is observed with the bare introduction of wood flour with respect to the neat PE matrix, whilst some recovery is offered by the addition of recycled cellulose fibres. Even more promisingly, the elastic modulus of PE matrix is substantially improved by the addition of wood flour (around 8% on average) and much more so with the further addition of recycled cellulose (around 20% on average). The fracture surfaces from the tensile test were analysed by scanning electron microscope (SEM) indicating a reduction in microporosity as an effect of added cellulose. The water absorption test and the hardness measure (Shore D) were also performed. SEM analysis underlined the weak interface between both wood particle and cellulosic recycled fibres and matrix. The water absorption test showed a higher mass variation for pure WPC than WPC with cellulosic recycled fibres. The hardness measurement showed that the presence of cellulosic recycled fibres improves both superficial hardness of the composite and temperature resistance.

36 MATERIALS SCIENCE↗

Diagnostics of the efficiency of surface plasmon-polariton excitation by quantum dots via polarization measurements of the output radiation

It is demonstrated that the efficiency of surface plasmon-polariton excitation at a metal-semiconductor interface by active quantum dots can be determined from measurements of the polarization characteristics of the output radiation. Experimentally, the proposed diagnostic method is based on finding the ratio of the intensities of the output radiation with polarizations orthogonal and parallel to the nanoheterostructure plane for two different distances between the quantum-dot layer and the metal-semiconductor interface. These data are then used to obtain the unknown parameters in the proposed mathematical model which makes it possible to calculate the rate of surface plasmon-polariton excitation by active quantum dots. As a result, this rate can be determined without complicated expensive equipment for fast time-resolved measurements.

36 MATERIALS SCIENCE↗

Through-thickness recrystallization characteristics of a laminated AA3xxx–AA6xxx aluminum alloy system

The through-thickness annealing behavior of a laminated AA3xxx–AA6xxx alloy system at 300 °C has been studied by scanning electron microscopy, electron backscatter diffraction analysis, electron probe micro-analysis, differential scanning calorimetry, and hardness measurement. Results show that the recrystallization process starts at the interface region between the AA3xxx (clad) and AA6xxx (core) layers. Subsequently, the recrystallization process front progresses into the core layer, while the clad layer is the last region to recrystallize. It is also found that precipitation precedes recrystallization in the entire laminate at the investigated temperature. The preferential onset of recrystallization at the interface region is attributed to the net driving pressure being the highest in this region. The factors that lead to such enhanced net driving pressure are (a) deformation incompatibility between the two alloy layers, (b) lower solute content of the interface, which also leads to lower volume fraction of precipitates, and (c) an accelerated rate of precipitate coarsening due to the presence of a higher density of dislocations. The gradual progress of recrystallization from the interface towards the core layer is dictated by precipitate coarsening and the dependence of its rate on the density of deformation-induced dislocations. The lower driving pressure due to lower work hardening capacity, high solute drag pressure due to Mn, and additional Zener drag from precipitates that form due to solute redistribution during annealing explain the late initiation of recrystallization in the clad layer. - Highlights: • The through-thickness recrystallization of a laminated system is investigated. • The early onset of recrystallization at the interface is discussed. • The effects of precipitation and coarsening on recrystallization are analyzed.

36 MATERIALS SCIENCE↗

Existing Fortran interfaces to Trilinos in preparation for exascale ForTrilinos development

This report summarizes the current state of Fortran interfaces to the Trilinos library within several key applications of the Exascale Computing Program (ECP), with the aim of informing developers about strategies to develop ForTrilinos, an exascale-ready, Fortran interface software package within Trilinos. The two software projects assessed within are the DOE Office of Science's Accelerated Climate Model for Energy (ACME) atmosphere component, CAM, and the DOE Office of Nuclear Energy's core-simulator portion of VERA, a nuclear reactor simulation code. Trilinos is an object-oriented, C++ based software project, and spans a collection of algorithms and other enabling technologies such as uncertainty quantification and mesh generation. To date, Trilinos has enabled these codes to achieve large-scale simulation results, however the simulation needs of CAM and VERA-CS will approach exascale over the next five years. A Fortran interface to Trilinos that enables efficient use of programming models and more advanced algorithms is necessary. Where appropriate, the needs of the CAM and VERA-CS software to achieve their simulation goals are called out specifically. With this report, a design document and execution plan for ForTrilinos development can proceed.

97 MATHEMATICS AND COMPUTING↗

On the Development of Order and Interfaces during the Growth of Ultrathin La 2 CuO 4 Films by Molecular Beam Epitaxy

While the atomic structure of interfaces in complex oxide heterostructures created by epitaxial growth has been investigated extensively, few studies have been conducted on how interfaces form and restructure at the initial stage of film growth. The dynamic aspects of the growth behavior can strongly influence the final interfacial atomic structure, which may lead to the emergence of interface-specific properties, such as the rise of interfacial superconductivity between certain Ruddlesden-Popper oxide materials. In this report, the structural development of La2CuO 4 thin films grown by molecular beam epitaxy on a LaSrAlO 4 substrate is investigated by X-ray diffraction measurements with rapid scans over a volume of reciprocal space. This method provides far more detailed information on interface formation than traditional fixed-point measurements. The results show that the atomic structure of the interface becomes fully established after just a single unit cell of growth. Interestingly, restructuring continues to occur within the topmost half to one unit cell of the film during the deposition process. However, diffraction intensity oscillations from both reflection high-energy electron and X-ray measurements stabilize only after the growth of two unit cells, indicating that the growth front morphology continues to evolve until the start of the third unit cell. This multimodal investigation provides insights into the atomic processes taking place during layered oxide interface formation, including the dynamical rearrangement of LaO and CuO 2 layers. Such information is not only relevant to the engineering and optimization of functional layer structures but can also be critical for ultrathin films.

36 MATERIALS SCIENCE↗

Oxide 2D electron gases as a route for high carrier densities on (001) Si

Two dimensional electron gases (2DEGs) formed at the interfaces of oxide heterostructures draw considerable interest owing to their unique physics and potential applications. Growing such heterostructures on conventional semiconductors has the potential to integrate their functionality with semiconductor device technology. We demonstrate 2DEGs on a conventional semiconductor by growing GdTiO{sub 3}-SrTiO{sub 3} on silicon. Structural analysis confirms the epitaxial growth of heterostructures with abrupt interfaces and a high degree of crystallinity. Transport measurements show the conduction to be an interface effect, ∼9 × 10{sup 13} cm{sup −2} electrons per interface. Good agreement is demonstrated between the electronic behavior of structures grown on Si and on an oxide substrate, validating the robustness of this approach to bridge between lab-scale samples to a scalable, technologically relevant materials system.

36 MATERIALS SCIENCE↗

Technical Note: Dose effects of 1.5 T transverse magnetic field on tissue interfaces in MRI-guided radiotherapy

Purpose: The integration of MRI with a linear accelerator (MR-linac) offers great potential for high-precision delivery of radiation therapy (RT). However, the electron deflection resulting from the presence of a transverse magnetic field (TMF) can affect the dose distribution, particularly the electron return effect (ERE) at tissue interfaces. The purpose of the study is to investigate the dose effects of ERE at air-tissue and lung-tissue interfaces during intensity-modulated radiation therapy (IMRT) planning. Methods: IMRT and volumetric modulated arc therapy (VMAT) plans for representative pancreas, lung, breast, and head and neck (HN) cases were generated following commonly used clinical dose volume (DV) criteria. In each case, three types of plans were generated: (1) the original plan generated without a TMF; (2) the reconstructed plan generated by recalculating the original plan with the presence of a TMF of 1.5 T (no optimization); and (3) the optimized plan generated by a full optimization with TMF = 1.5 T. These plans were compared using a variety of DV parameters, including V{sub 100%}, D{sub 95%}, DHI [dose heterogeneity index: (D{sub 20%}–D{sub 80%})/D{sub prescription}], D{sub max}, and D{sub 1cc} in OARs (organs at risk) and tissue interface. All the optimizations and calculations in this work were performed on static data. Results: The dose recalculation under TMF showed the presence of the 1.5 T TMF can slightly reduce V{sub 100%} and D{sub 95%} for PTV, with the differences being less than 4% for all but one lung case studied. The TMF results in considerable increases in D{sub max} and D{sub 1cc} on the skin in all cases, mostly between 10% and 35%. The changes in D{sub max} and D{sub 1cc} on air cavity walls are dependent upon site, geometry, and size, with changes ranging up to 15%. The VMAT plans lead to much smaller dose effects from ERE compared to fixed-beam IMRT in pancreas case. When the TMF is considered in the plan optimization, the dose effects of the TMF at tissue interfaces (e.g., air-cavity wall, lung-tissue interfaces, skin) are significantly reduced in most cases. Conclusions: The doses on tissue interfaces can be significantly changed by the presence of a TMF during MR-guided RT when the magnetic field is not included in plan optimization. These changes can be substantially reduced or even eliminated during VMAT/IMRT optimization that specifically considers the TMF, without deteriorating overall plan quality.

60 APPLIED LIFE SCIENCES↗

Fabrication and microstructures of functional gradient SiBCN–Nb composite by hot pressing

A functional gradient material with five layers composed of SiBCN ceramic and niobium (Nb) was prepared successfully by hot pressing. The phase composition, morphology features and microstructures were investigated in each layer of the gradient material. The Nb-containing compounds involving NbC, Nb{sub 6}C{sub 5}, Nb{sub 4}C{sub 3}, Nb{sub 5}Si{sub 3} and NbN increase with the volume fraction of Nb increasing in the sub-layer. They are randomly scattered (≤ 25 vol.% Nb), then strip-like, and finally distribute continuously (≥ 75 vol.% Nb). The size of BN(C) and SiC grains in Nb-containing layers is larger than in 100% SiBCN layer due to the loss of the capsule-like structures. No distinct interfaces form in the transition regions indicating the gradual changes in phase composition and microstructures. - Highlights: • A functional gradient SiBCN–Nb material was prepared successfully by hot pressing. • Phase composition, morphology features and microstructures were investigated. • Thermodynamic calculation was used to aid in the phase analysis. • No distinct interfaces form typical of the functional gradient material.

36 MATERIALS SCIENCE↗

Visible-light-induced blue MoO{sub 3}–C{sub 3}N{sub 4} composite with enhanced photocatalytic activity

Highlights: • Novel MoO{sub 3}–C{sub 3}N{sub 4} composite was prepared by a mixing-calcination method. • The MoO{sub 3}–C{sub 3}N{sub 4} composite shows remarkably enhanced absorption of visible light. • The MoO{sub 3}–C{sub 3}N{sub 4} composite shows superior visible-light photocatalytic activity. - Abstract: Composite photocatalyst of blue MoO{sub 3}/g-C{sub 3}N{sub 4} (denoted as MoO{sub 3}–C{sub 3}N{sub 4}) was prepared by a simple mixing-calcination method. The obtained MoO{sub 3}–C{sub 3}N{sub 4} composite contains a low amount of molybdenum blue and shows remarkably enhanced absorption of visible light and high efficiency for the degradation of methylene blue dye (MB) under visible light. The enhancement of visible light photocatalytic activity in MoO{sub 3}–C{sub 3}N{sub 4} is attributed to the synergetic effect: (i) the strong and wide absorption of visible light, (ii) the high separation and easy transfer of photogenerated electron–hole pairs at the heterojunction interfaces derived from the match of band position between the g-C{sub 3}N{sub 4} and MoO{sub 3}.

36 MATERIALS SCIENCE↗

Deformation response of cube-on-cube and non-coherent twin interfaces in AgCu eutectic after dynamic plastic compression

For this research, Split-Hopkinson pressure bar dynamic compression experiments were conducted to determine the defect/interface interaction dependence on interface type, bilayer thickness and interface orientation with respect to the loading direction in the Ag-Cu eutectic system. Specifically, the deformation microstructure in alloys with either a cube-on-cube orientation relationship with {111} Ag ||{111} Cu interface habit planes or a twin orientation relationship with {$\overline{3}13$} Ag ||{$\overline{1}12$} Cu interface habit planes and with bilayer thicknesses of 500 nm, 1.1 µm and 2.2 µm were probed using TEM. The deformation was carried by dislocation slip and in certain conditions, deformation twinning. The twinning response was dependent on loading orientation with respect to the interface plane, bilayer thickness, and interface type. Twinning was only observed when loading at orientations away from the growth direction and decreased in prevalence with decreasing bilayer thickness. Twinning in Cu was dependent on twinning partial dislocations being transmitted from Ag, which only occurred for cube-on-cube interfaces. Lastly, dislocation slip and deformation twin transfer across the interfaces is discussed in terms of the slip transfer conditions developed for grain boundaries in FCC alloys.

36 MATERIALS SCIENCE↗

Effect of the thickness of BiFeO{sub 3} layers on the magnetic and electric properties of BiFeO{sub 3}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} heterostructures

BiFeO{sub 3} layers with various thicknesses were fabricated on La{sub 0.7}Sr{sub 0.3}MnO{sub 3} covered SrTiO{sub 3} substrates by a laser molecular-beam epitaxy system. The ferromagnetic transition temperature (T{sub c}) and magnetic coercive field (H{sub c}) of BiFeO{sub 3}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} heterostructures are larger than those of the La{sub 0.7}Sr{sub 0.3}MnO{sub 3} film. With increasing the thickness of the BiFeO{sub 3} layer, T{sub c}, H{sub c}, and ferroelectric coercive field of the BiFeO{sub 3}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} heterostructures decrease, while the dielectric permittivity, remanent polarization, and resistance ratio of the ON and OFF states increase. The variations of the magnetic and electric properties with the thickness could be due to the effects of the epitaxial strain and the interface layer.

36 MATERIALS SCIENCE↗

SU-G-JeP2-05: Dose Effects of a 1.5T Magnetic Field On Air-Tissue and Lung-Tissue Interfaces in MRI-Guided Radiotherapy

Purpose: The purpose of the study is to investigate the dose effects of electron-return-effect (ERE) at air-tissue and lung-tissue interfaces under a 1.5T transverse-magnetic-field (TMF). Methods: IMRT and VMAT plans for representative pancreas, lung, breast and head & neck (H&N) cases were generated following clinical dose volume (DV) criteria. The air-cavity walls, as well as the lung wall, were delineated to examine the ERE. In each case, the original plan generated without TMF is compared with the reconstructed plan (generated by recalculating the original plan with the presence of TMF) and the optimized plan (generated by a full optimization with TMF), using a variety of DV parameters, including V100%, D95% and dose heterogeneity index for PTV, Dmax, and D1cc for OARs (organs at risk) and tissue interface. Results: The dose recalculation under TMF showed the presence of the 1.5 T TMF can slightly reduce V100% and D95% for PTV, with the differences being less than 4% for all but lung case studied. The TMF results in considerable increases in Dmax and D1cc on the skin in all cases, mostly between 10-35%. The changes in Dmax and D1cc on air cavity walls are dependent upon site, geometry, and size, with changes ranging up to 15%. In general, the VMAT plans lead to much smaller dose effects from ERE compared to fixed-beam IMRT. When the TMF is considered in the plan optimization, the dose effects of the TMF at tissue interfaces are significantly reduced in most cases. Conclusion: The doses on tissue interfaces can be significantly changed by the presence of a 1.5T TMF during MR-guided RT when the TMF is not included in plan optimization. These changes can be substantially reduced or even removed during VMAT/IMRT optimization that specifically considers the TMF, without deteriorating overall plan quality.

60 APPLIED LIFE SCIENCES↗

In-situ Mass Spectrometric Determination of Molecular Structural Evolution at the Solid Electrolyte Interphase in Lithium-Ion Batteries

Dynamic molecular evolution at solid/liquid electrolyte interface is always a mystery for a rechargeable battery due to the challenge to directly probe/observe the solid/liquid interface under reaction conditions, which in essence appears to be similarly true for all the fields involving solid/liquid phases, such as electrocatalysis, electrodeposition, biofuel conversion, biofilm, and biomineralization, We use in-situ liquid secondary ion mass spectroscopy (SIMS) for the first time to directly observe the molecular structural evolution at the solid electrode/liquid electrolyte interface for a lithium (Li)-ion battery under dynamic operating conditions. We have discovered that the deposition of Li metal on copper electrode leads to the condensation of solvent molecules around the electrode. Chemically, this layer of solvent condensate tends to deplete the salt anion and with low concentration of Li+ ions, which essentially leads to the formation of a lean electrolyte layer adjacent to the electrode and therefore contributes to the overpotential of the cell. This unprecedented molecular level dynamic observation at the solid electrode/liquid electrolyte interface provides vital chemical information that is needed for designing of better battery chemistry for enhanced performance, and ultimately opens new avenues for using liquid SIMS to probe molecular evolution at solid/liquid interface in general.

Environmental Molecular Sciences Laboratory↗

Towards a high-performance garnet-based solid-state Li metal battery: A perspective on recent advances

Garnet-based solid-state Li metal batteries have been widely considered one of the most promising next-generation energy storage systems. However, the performance of these batteries is plagued by various limitations caused by the solid-state electrolyte (SSE). The poor wetting of lithium on the garnet surface diminishes the contact between the anode and electrolyte, leading to extremely high anode interfacial resistance. Similarly, the point-to-point contact between the cathode and electrolyte leads to high impedance on the cathode side. Moreover, although the SSE serves a firm barrier separating the anode and cathode, lithium dendrites can still grow through, causing a short circuit. Lastly, the solid/solid interface cannot be well maintained under cycling at high current density and capacity. Recently, remarkable progress has been achieved in garnet electrolyte to resolve these problems towards the aim of a high-performance solid-state Li metal battery. In this perspective, we highlight various recent advances in the field of garnet-based solid-state battery, including improving the anode/electrolyte interface, lithium dendrite detection, reducing cathode impedance, and electrolyte architecture design.

25 ENERGY STORAGE↗

Overview of the Instrumentation for the Dark Energy Spectroscopic Instrument

Abstract The Dark Energy Spectroscopic Instrument (DESI) embarked on an ambitious 5 yr survey in 2021 May to explore the nature of dark energy with spectroscopic measurements of 40 million galaxies and quasars. DESI will determine precise redshifts and employ the baryon acoustic oscillation method to measure distances from the nearby universe to beyond redshift z > 3.5, and employ redshift space distortions to measure the growth of structure and probe potential modifications to general relativity. We describe the significant instrumentation we developed to conduct the DESI survey. This includes: a wide-field, 3.°2 diameter prime-focus corrector; a focal plane system with 5020 fiber positioners on the 0.812 m diameter, aspheric focal surface; 10 continuous, high-efficiency fiber cable bundles that connect the focal plane to the spectrographs; and 10 identical spectrographs. Each spectrograph employs a pair of dichroics to split the light into three channels that together record the light from 360–980 nm with a spectral resolution that ranges from 2000–5000. We describe the science requirements, their connection to the technical requirements, the management of the project, and interfaces between subsystems. DESI was installed at the 4 m Mayall Telescope at Kitt Peak National Observatory and has achieved all of its performance goals. Some performance highlights include an rms positioner accuracy of better than 0.″1 and a median signal-to-noise ratio of 7 of the [O ii ] doublet at 8 × 10 −17 erg s −1 cm −2 in 1000 s for galaxies at z = 1.4–1.6. We conclude with additional highlights from the on-sky validation and commissioning, key successes, and lessons learned.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An Open Port Sampling Interface for Liquid Introduction Atmospheric Pressure Ionization Mass Spectrometry

RATIONALE: A simple method to introduce unprocessed samples into a solvent for rapid characterization by liquid introduction atmospheric pressure ionization mass spectrometry has been lacking. The continuous flow, self-cleaning open port sampling interface introduced here fills this void. METHODS: The open port sampling interface used a vertically aligned, co-axial tube arrangement enabling solvent delivery to the sampling end of the device through the tubing annulus and solvent aspiration down the center tube and into the mass spectrometer ionization source via the commercial APCI emitter probe. The solvent delivery rate to the interface was set to exceed the aspiration rate creating a continuous sampling interface along with a constant, self-cleaning spillover of solvent from the top of the probe. RESULTS: Using the open port sampling interface with positive ion mode APCI and a hybrid quadrupole time of flight mass spectrometer, rapid, direct sampling and analysis possibilities are exemplified with plastics, ballpoint and felt tip ink pens, skin, and vegetable oils. These results demonstrated that the open port sampling interface could be used as a simple, versatile and self-cleaning system to rapidly introduce multiple types of unprocessed, sometimes highly concentrated and complex, samples into a solvent flow stream for subsequent ionization and analysis by mass spectrometry. The basic setup presented here could be incorporated with any self-aspirating liquid introduction ionization source (e.g., ESI, APCI, APPI, ICP, etc.) or any type of atmospheric pressure sampling ready mass spectrometer system. CONCLUSIONS: The open port sampling interface provides a means to introduce and quickly analyze unprocessed solid or liquid samples with liquid introduction atmospheric pressure ionization source without fear of sampling interface or ionization source contamination.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Small angle scattering methods to study porous materials under high uniaxial strain

We developed a high pressure cell for the in situ study of the porosity of solids under high uniaxial strain using neutron small angle scattering. The cell comprises a hydraulically actioned piston and a main body equipped with two single-crystal sapphire windows allowing for the neutron scattering of the sample. The sample cavity is designed to allow for a large volume variation as expected when compressing highly porous materials. We also implemented a loading protocol to adapt an existing diamond anvil cell for the study of porous materials by X-ray small angle scattering under high pressure. The two techniques are complementary as the radiation beam and the applied pressure are in one case perpendicular to each other (neutron cell) and in the other case parallel (X-ray cell). We will illustrate the use of these two techniques in the study of lamellar porous systems up to a maximum pressure of 0.1 GPa and 0.3 GPa for the neutron and X-ray cells, respectively. These devices allow obtaining information on the evolution of porosity with pressure in the pore dimension subdomain defined by the wave-numbers explored in the scattering process. The evolution with the applied load of such parameters as the fractal dimension of the pore-matrix interface or the apparent specific surface in expanded graphite and in expanded vermiculite is used to illustrate the use of the high pressure cells.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗