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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Optimization of Extended-Surface PtNi Nanowire Oxygen Reduction Electrocatalysts Produced via Atomic Layer Deposition

Polymer electrolyte membrane fuel cells (PEMFCs) produce electricity with only heat and water as byproducts, but sluggish kinetics of the oxygen reduction reaction (ORR) at the cathode and durability limitations restrict widespread commercialization, motivating the development of advanced catalysts. In this research, extended-surface platinum nickel (PtNi) nanowires (NWs) synthesized using the scalable atomic layer deposition (ALD) technique are investigated with the goal of exploring the durability benefits of high-aspect-ratio electrocatalysts and the tunability of beneficial kinetic properties. The surface and bulk composition and the structure of the PtNi NWs were investigated as a function of a series of postsynthesis modifications. The results from a combination of electron microscopy and X-ray spectroscopy characterization techniques were correlated to electrochemical performance to gain a comprehensive understanding of the structure-property-performance relationships. The robust structure of the ALD-derived NWs enabled additional postsynthesis optimization steps, which were not possible with previous-generation materials synthesized via spontaneous galvanic displacement, resulting in a catalyst with beneficial properties for catalyst kinetics as well as improved durability. Our study demonstrates potential pathways toward further improving the performance of this class of materials through optimization of bulk and surface properties of the catalyst.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2017

Superhalogen-based lithium superionic conductors

The development of cheap, durable, and safe inorganic solid electrolytes with superionic conductivity is the key for the next generation of all-solid metal-ion batteries. The recent discovery of antiperovskites with composition Li 3 OA (A = halogen) shows promise in this regard. Here, we demonstrate the potential of a new class of antiperovskites where halogens are replaced by BH 4 superhalogens. In addition to maintaining the high ionic conductivity of Li 3 OA, Li 3 O(BH 4 ) is lightweight, mechanically flexible, thermodynamically more stable, and electronically more insulating than Li 3 OA. By mixing BH 4 with Cl to make Li 3 O(BH 4 ) 0.5 Cl 0.5 , we further show that the conductivity will be doubled. The Li + -ion conductivity of the new materials is of the order of 10 -4 to over 10 -3 S cm -1 at room temperature and will be well above 10 -2 S cm -1 at higher temperatures below the melting point. The conduction mechanism of the material is revealed by identifying the relationship between the orientational symmetry of the BH 4- rotors and the potential surface felt by the lithium ions.

Fang, Hong↗
DOE OSTI2015

TADSim: Discrete Event-based Performance Prediction for Temperature Accelerated Dynamics

Next-generation high-performance computing will require more scalable and flexible performance prediction tools to evaluate software--hardware co-design choices relevant to scientific applications and hardware architectures. Here, we present a new class of tools called application simulators—parameterized fast-running proxies of large-scale scientific applications using parallel discrete event simulation. Parameterized choices for the algorithmic method and hardware options provide a rich space for design exploration and allow us to quickly find well-performing software--hardware combinations. We demonstrate our approach with a TADSim simulator that models the temperature-accelerated dynamics (TAD) method, an algorithmically complex and parameter-rich member of the accelerated molecular dynamics (AMD) family of molecular dynamics methods. The essence of the TAD application is captured without the computational expense and resource usage of the full code. We accomplish this by identifying the time-intensive elements, quantifying algorithm steps in terms of those elements, abstracting them out, and replacing them by the passage of time. We use TADSim to quickly characterize the runtime performance and algorithmic behavior for the otherwise long-running simulation code. We extend TADSim to model algorithm extensions, such as speculative spawning of the compute-bound stages, and predict performance improvements without having to implement such a method. Validation against the actual TAD code shows close agreement for the evolution of an example physical system, a silver surface. Finally, focused parameter scans have allowed us to study algorithm parameter choices over far more scenarios than would be possible with the actual simulation. This has led to interesting performance-related insights and suggested extensions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

On the Convergence of Physics Informed Neural Networks for Linear Second-Order Elliptic and Parabolic Type PDEs

Physics informed neural networks (PINNs) are deep learning based techniques for solving partial differential equations (PDEs) encountered in computational science and engineering. Guided by data and physical laws, PINNs find a neural network that approximates the solution to a system of PDEs. Such a neural network is obtained by minimizing a loss function in which any prior knowledge of PDEs and data are encoded. Despite its remarkable empirical success in one, two or three dimensional problems, there is little theoretical justification for PINNs. As the number of data grows, PINNs generate a sequence of minimizers which correspond to a sequence of neural networks. We want to answer the question: Does the sequence of minimizers converge to the solution to the PDE? We consider two classes of PDEs: linear second-order elliptic and parabolic. By adapting the Schauder approach and the maximum principle, we show that the sequence of minimizers strongly converges to the PDE solution in C 0 . Furthermore, we show that if each minimizer satisfies the initial/boundary conditions, the convergence mode becomes H 1 . Computational examples are provided to illustrate our theoretical findings. To the best of our knowledge, this is the first theoretical work that shows the consistency of PINNs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

ESI-FTICR-MS Analysis of Organic Matter during Incubations with Nitrogen Addition, Teller Road Site, Seward Peninsula, Alaska

This dataset contains the results of the molecular characterization of water-extractable organic matter collected during soil microcosm incubations of tundra soil. The microcosms contained soil collected in April 2017 from the NGEE Arctic Teller Road Site at mile marker 27 (TL_MM27) near Intensive Site 9 (“Toeslope”) and Intensive Site 5 (“Plateau”). The incubations were conducted under an atmosphere of N2 at 8°C for 55 days, with or without addition of ammonium chloride (NH4Cl). Soils were extracted with deionized water and extracted using Bond Elut PPL cartridges prior to analysis. Molecular characterization was performed using electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI- FTICR-MS). Two data files are provided with this dataset. The first is the summary, by soil type and treatment, of the mass spectrometry results for formulas (as a % of the total) containing C, H, and O only, and with N, S, and other elements. These formulas were then grouped into nine biochemical classes of compounds based on O:C and H:C ratios. The second file provides soil sample characteristics and the processed high-resolution mass spectrometry results by soil type and treatment.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy’s Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy’s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

Development of lightweight reinforced plastic laminates for spacecraft interior applications

Lightweight, Kevlar - reinforced laminating systems that are non-burning, generate little smoke in the space shuttle environment, and are physically equivalent to the fiberglass/polyimide system used in the Apollo program for non-structural cabin panels, racks, etc. Resin systems representing five generic classes were screened as matrices for Kevlar 49 reinforced laminates. Of the systems evaluated, the polyimides were the most promising with the phenolics a close second. Skybond 703 was selected as the most promising resin candidate. With the exception of compression strength, all program goals of physical and mechanical properties were exceeded. Several prototype space shuttle mobility and translation handrail segments were manufactured using Kevlar/epoxy and Kevlar-graphite/epoxy. This application shows significant weight savings over the baseline aluminum configuration used previous. The hybrid Kevlar-graphite/epoxy is more suitable from a processing standpoint.

Hertz, J.↗
NASA NTRS2002

Spatial distribution and yield of DNA double-strand breaks induced by 3-7 MeV helium ions in human fibroblasts

Accelerated helium ions with mean energies at the target location of 3-7 MeV were used to simulate alpha-particle radiation from radon daughters. The experimental setup and calibration procedure allowed determination of the helium-ion energy distribution and dose in the nuclei of irradiated cells. Using this system, the induction of DNA double-strand breaks and their spatial distributions along DNA were studied in irradiated human fibroblasts. It was found that the apparent number of double-strand breaks as measured by a standard pulsed-field gel assay (FAR assay) decreased with increasing LET in the range 67-120 keV/microm (corresponding to the energy of 7-3 MeV). On the other hand, the generation of small and intermediate-size DNA fragments (0.1-100 kbp) increased with LET, indicating an increased intratrack long-range clustering of breaks. The fragment size distribution was measured in several size classes down to the smallest class of 0.1-2 kbp. When the clustering was taken into account, the actual number of DNA double-strand breaks (separated by at least 0.1 kbp) could be calculated and was found to be in the range 0.010-0.012 breaks/Mbp Gy(-1). This is two- to threefold higher than the apparent yield obtained by the FAR assay. The measured yield of double-strand breaks as a function of LET is compared with theoretical Monte Carlo calculations that simulate the track structure of energy depositions from helium ions as they interact with the 30-nm chromatin fiber. When the calculation is performed to include fragments larger than 0.1 kbp (to correspond to the experimental measurements), there is good agreement between experiment and theory.

NASA Program Biomedical Research and Countermeasur↗
NASA NTRS2004

Goals and Progress for Mil Handbook 17, Vol. 5 on Ceramic Matrix Composites: Testing and Characterization

The initial edition of the Mil Handbook 17, Vol. 5 on ceramic matrix composites (CMCs) was recently published. Part C of this CMC volume describes procedures for characterization of the thermal, physical, and mechanical properties of CMCs and subsequent data analysis procedures. As is the case for entire CMC volume, this chapter is a "work in progress" with sections on recommended test plans and matrices, data reduction, and test methods. This presentation will describe the current status in development of this section of the CMC volume and will highlight examples of critical issues that will be addressed in this volume. CMC systems are a different class of material than metals or polymer matrix composite with different mechanical response and failure modes, design rules, test methods, and characterization techniques. The CMC test protocols need to include guidance on how to generate enough reliable data in order to estimate, with reasonable confidence, the lower bounds of performance properties, such as strength and life. Strength data sets on two material systems, C/SiC and Nicalon/SiNC, and a creep rupture data set on C/SiC, will be presented to highlight this issue. The structural properties of CMC parts can sometimes be significantly different than those obtained from flat panels because of changes in fiber architecture often required to make shapes and spatial and lot-to-lot variations in processing conditions. To illustrate an example, the hoop tensile properties of SiC/SiC cylinders will be compared to properties obtained from flat panels fabricated from the same composites. These CMC testing-design issues are being defined and documented in the Mil Handbook 17 CMC volume.

Verrilli, Michael J.↗
NASA NTRS2005

Thermodynamic Models for Aqueous Alteration Coupled with Volume and Pressure Changes in Asteroids

All major classes of chondrites show signs of alteration on their parent bodies (asteroids). The prevalence of oxidation and hydration in alteration pathways implies that water was the major reactant. Sublimation and melting of water ice, generation of gases, formation of aqueous solutions, alteration of primary minerals and glasses and formation of secondary solids in interior parts of asteroids was likely to be driven by heat from the radioactive decay of short-lived radionuclides. Progress of alteration reactions should have affected masses and volumes of solids, and aqueous and gas phases. In turn, pressure evolution should have been controlled by changes in volumes and temperatures, escape processes, and production/ consumption of gases.

Mironenko, M. V.↗
NASA NTRS2020

POEMMA’s Target-of-Opportunity Sensitivity to Cosmic Neutrino Transient Sources

We investigate the capability of the Probe Of Extreme Multi-Messenger Astrophysics (POEMMA)in performing Target-of-Opportunity (ToO) neutrino observations. POEMMA is a proposed space-based probe-class mission for ultra high-energy cosmic ray and very-high-energy neutrino detection using two spacecraft, each equipped with a large Schmidt telescope to detect optical and near-ultraviolet signals generated by extensive air showers (EASs). POEMMA will be sensitive to Cherenkov radiation from upward-moving EASs initiated by tau neutrinos interacting in the Earth. POEMMA will be able to quickly re-point (90◦in 500 s) each of the two spacecraft to the direction of an astrophysical source, which in combination with its orbital speed will provide it with unparalleled capability to follow up transient alerts. We calculate POEMMA’s transient sensitivity for two observational configurations for the satellites (ToO-stereo and ToO-dual for smaller and larger satellite separations, respectively) and investigate the impact of variations arising due to POEMMA’s orbital characteristics on its sensitivity to tau neutrinos in various regions of the sky. We explore separate scenarios for long (∼105−6s) and short (∼103s) duration events, accounting for intrusion from the Sun and the Moon in the long-duration scenario. We compare the sensitivity and sky coverage of POEMMA for ToO observations with those for existing experiments (e.g., IceCube, ANTARES, and the Pierre Auger Observatory) and other proposed future experiments (e.g., GRAND200k).For long bursts, we find that POEMMA will provide a factor of&7 improvement in average neutrino sensitivity above 300 PeV with respect to existing experiments, reaching the level of model predictions for neutrino fluences at these energies and above from several types of long-duration astrophysical transients (e.g., binary neutron star mergers and tidal disruption events). For short bursts, POEMMA will improve the sensitivity over existing experiments by at least an order of magnitude forEν∼>100 PeV in the “best-case” scenario. POEMMA’s orbital characteristics and rapid re-pointing capability will provide it access to the full celestial sky, including regions that will not be accessible to ground-based neutrino experiments. Finally, we discuss the prospects for POEMMA to detect neutrinos from candidate astrophysical neutrino sources in the nearby universe. Our results demonstrate that with its improved neutrino sensitivity at ultra-high energies and unique full-sky coverage, POEMMA will be an essential, complementary component in a rapidly expanding multi-messenger network.

Tonia M Venters↗
DOE OSTI2013

NUHOWS - Storage and Transportation of Irradiated Reactor Components in Large Packages - 13439

Most irradiated reactor components (hardware such as Control Rod Blades, Fuel Channels, Poison Curtains, etc.) generated at reactors previously required significant processing for size reduction due to the available transportation casks not being physically capable of containing unprocessed material. As of July 1, 2008, disposal for this typical waste class (B and C) became inaccessible (for the major part of the nation) due to the Barnwell, SC disposal facility being closed to all but its three compact states (CT, NJ and SC). Currently in the United States, most facilities are storing their irradiated hardware on-site in the spent fuel pools. Until recently with the opening of the Waste Control Specialists' Texas disposal facility, utilities faced the challenges of spent fuel pool space and capacity management. However, even with WCS's disposal availability, the site currently has annual Curie limitations for disposal, which will continue to promote interim on-site storage until such time as disposal is available. In response, Transnuclear Inc., (TN) an AREVA company, proceeded with designing a new large Radioactive Waste Container (RWC) that can be used to package irradiated hardware without the need for significant processing. The design features of the RWC allows for intermittent loadings of the hardware for better packaging efficiency, higher packaging density, space savings and reduced cost. This RWC is also compatible with TN's on-site modular vault storage system. Once completely loaded, the RWC can be transported to an on-site storage facility, an off-site storage facility and/or an available disposal facility. To accommodate the transportation, TN has designed a large transportation cask, the MP197HB. As the original design was for transporting fuel, it contains the necessary shielding to allow for the transport of unprocessed irradiated reactor components, while significantly reducing the amount of irradiated hardware shipments required with the use of the new RWC. This paper provides information on the unique design features of the RWC, storage module vaults, MP197HB Transportation Cask and cost saving benefits of using the large RWC for packaging, storage, transport and disposal. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

EE-SMOTE: An oversampling method in conjunction with information entropy for imbalanced learning

Imbalanced learning attracts great attention in various research fields. Existing literature-reported methodologies in imbalanced learning have shown drawbacks including over-generation or noisy/wrong samples generations. This paper presents EE-SMOTE, an oversampling technique based on information entropy, to support the imbalance classifications. Specifically, we propose a metric, Eigen-Entropy (EE), to identify homogenous samples from minority classes for oversampling technique, specifically, SMOTE to reach data balances for classification. Experiments on public dataset and real-world datasets demonstrate the efficacy and effectiveness of the proposed EE-SMOTE in imbalanced learning.

Huang, Jiajing↗
DOE OSTI2022

Hyperspectral remote sensing-based plant community map for region around NGEE-Arctic intensive research watersheds at Seward Peninsula, Alaska, 2017-2019

Using airborne hyperspectral remote sensing data from NASA Airborne Visible-Infrared Imaging Spectrometer- Next Generation (AVIRIS-NG) platforms in a region near NGEE-Arctic intensive watersheds at Seward peninsula of Alaska, high resolution (5m) maps of plant community distribution were developed and included in this data collected. AVIRIS-NG data collected over 2017-2019 period were used to develop deep neural networks, trained using vegetation plot observations collected at NGEE-Arctic watersheds at Kougarok, Council and Teller. A hierarchical vegetation classification scheme consisting of six classes at Level I, and 16 classes at Level II contained in two .txt files were used to developed the plant community maps for the region. Two geospatial raster data files (.tif) at both thematic levels are shared in this data collection. Data files in this collection use Alaska Albers Equal Area projection. Readme files available in three formats (*.html, *.md, *.pdf) and one *.png visualization map.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1989

Dynamics of a class of vortex rings

The contour dynamics method is extended to vortex rings with vorticity varying linearly from the symmetry axis. An elliptic core model is also developed to explain some of the basic physics. Passage and collisions of two identical rings are studied focusing on core deformation, sound generation and stirring of fluid elements. With respect to core deformation, not only the strain rate but how rapidly it varies is important and accounts for greater susceptibility to vortex tearing than in two dimensions. For slow strain, as a passage interaction is completed and the strain relaxes, the cores return to their original shape while permanent deformations remain for rapidly varying strain. For collisions, if the strain changes slowly the core shapes migrate through a known family of two-dimensional steady vortex pairs up to the limiting member of the family. Thereafter energy conservation does not allow the cores to maintain a constant shape. For rapidly varying strain, core deformation is severe and a head-tail structure in good agreement with experiments is formed. With respect to sound generation, good agreement with the measured acoustic signal for colliding rings is obtained and a feature previously thought to be due to viscous effects is shown to be an effect of inviscid core deformation alone. For passage interactions, a component of high frequency is present. Evidence for the importance of this noise source in jet noise spectra is provided. Finally, processes of fluid engulfment and rejection for an unsteady vortex ring are studied using the stable and unstable manifolds. The unstable manifold shows excellent agreement with flow visualization experiments for leapfrogging rings suggesting that it may be a good tool for numerical flow visualization in other time periodic flows.

Shariff, Karim↗
DOE OSTI2014

Octahedral distortion induced magnetic anomalies in LaMn{sub 0.5}Co{sub 0.5}O{sub 3} single crystals

Single crystals of LaMn{sub 0.5}Co{sub 0.5}O{sub 3} belonging to the ferromagnetic-insulator and distorted perovskite class were grown using a four-mirror optical float zone furnace. The as-grown crystal crystallizes into an orthorhombic Pbnm structure. The spatially resolved 2D Raman scan reveals a strain-induced distribution of transition metal (TM)–oxygen (O) octahedral deformation in the as-grown crystal. A rigorous annealing process releases the strain, thereby generating homogeneous octahedral distortion. The octahedra tilt by reducing the bond angle TM-O-TM, resulting in a decline of the exchange energy in the annealed crystal. The critical behavior is investigated from the bulk magnetization. It is found that the ground state magnetic behavior assigned to the strain-free LaMn{sub 0.5}Co{sub 0.5}O{sub 3} crystal is of the 3D Heisenberg kind. Strain induces mean field-like interaction in some sites, and consequently, the critical exponents deviate from the 3D Heisenberg class in the as-grown crystal. The temperature-dependent Raman scattering study reveals strong spin-phonon coupling and the existence of two magnetic ground states in the same crystal.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Offshore Wind Market Report: 2023 Edition

The Offshore Wind Market Report: 2023 Edition provides detailed information on the U.S. and global offshore wind energy industries to inform policymakers, researchers, and analysts about technology, economic, and market trends. The scope of the report covers the status of over 293 global operating offshore wind energy projects as well as the broader global pipeline of projects in various stages of development through December 31, 2022. To provide up-to-date information and discussion on this emerging industry in the United States, this report tracks the significant U.S. domestic industry progress and events from January 1, 2022, through May 31, 2023. The U.S. offshore wind energy project development pipeline has reached a potential generating capacity of over 52 gigawatts, and the industry has seen strong support from state and federal governments (such as from the Inflation Reduction Act of 2022 and the announced Floating Offshore Wind Shot to reduce the cost of floating wind by 70%). There are contracts for over 17 gigawatts of the electricity from these offshore wind projects and state policies are in place to procure over 42 gigawatts by 2040. Although some projects are facing economic headwinds due to rising costs and higher interest rates (corresponding to project cost increases of 11% - 30% in 2022), there has still been significant investment in a domestic supply chain (including manufacturing facilities, new vessels, and upgraded or planned ports). Technologies continue to evolve as offshore wind turbines in the 15-megawatt class advance towards commercial production. Key offshore wind energy market indicators, such as commercial leasing, state energy planning targets, procurement policies, offtake agreements, and federal support for U.S. jobs and supply chain development, point toward sustained market growth when viewed together, but the macroeconomic hurdles facing the first generation of commercial projects could significantly stunt that growth.

17 WIND ENERGY↗
DOE OSTI2019

A theory of R(D*, D) anomaly with right-handed currents

We present an ultraviolet complete theory for the R ( D * ) and R ( D ) anomaly in terms of a low mass W ± R gauge boson of a class of left-right symmetric models. These models, which are based on the gauge symmetry SU(3) c × SU(2) L × SU(2) R × U(1) B - L , utilize vector-like fermions to generate quark and lepton masses via a universal seesaw mechanism. A parity symmetric version as well as an asymmetric version are studied. A light sterile neutrino emerges naturally in this setup, which allows for new decay modes of B -meson via right-handed currents. We show that these models can explain R ( D * ) and R ( D ) anomaly while being consistent with LHC and LEP data as well as low energy flavor constraints arising from \( {K}_L-{K}_S,\kern0.5em {B}_{d,s}-{\overline{B}}_{d,s},\kern0.5em D-\overline{D} \) mixing, etc., but only for a limited range of the W R mass: 1.2 (1.8) TeV ≤ \( {M}_{W_R} \) ≤ 3 TeV for parity asymmetric (symmetric) Yukawa sectors. The ratio R ( D )/ R ( D * ) is predicted to be ≃ 1.16, which is the same as in the Standard Model. The light sterile neutrinos predicted by the model may be relevant for explaining the MiniBoone and LSND neutrino oscillation results. The parity symmetric version of the model provides a simple solution to the strong CP problem without relying on the axion. It also predicts an isospin singlet top partner with a mass M T = (1.5 - 2.5) TeV.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗