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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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485 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Electrocatalytic grafting of polyvinyl chloride plastics

Polyvinyl chloride (PVC) plastics require high loadings of plasticizers and stabilizers to achieve commercially useful bulk properties. However, these non-covalent additives leach from PVC over time, resulting in the loss of their tailored functionality. This work details the electrocatalytic functionalization of PVC to covalently graft plasticizing additives directly onto the polymer backbone. Here, mechanistic insights guided the design of electrocatalysts capable of modifying C–Cl bonds of PVC under mild conditions with high selectivity while suppressing side reactions such as elimination and chain scission. Functional groups that mimic PVC plasticizers are covalently installed into the backbone of PVC to create new materials with distinct bulk properties from the original polymer. The degree of polymer grafting is easily controlled by simply changing the redox capacity that is passed during electrolysis. This strategy is employed to create chemically- and leach-resistant PVC materials by directly electrolyzing mixtures of consumer PVC products

Zackasee, Jordan L.S.↗
NASA NTRS2026

Diffusion Quantum Monte Carlo Calculation of the Austenite and Martensite Phases of NiTi

NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.

Kevin K Ly↗
DOE OSTI2026

Flash Heating of a Hollow Rod to Determine Thermal Properties

In a nuclear reactor, prolonged exposure to high neutron flux levels can change material properties of reactor components. Due to the danger posed to personnel by highly radioactive components such as spent fuel, noncontact methods must be used to determine these properties. The objective of the current research is to test the viability of using a flash-heating method to determine the thermal diffusivity of a silicon carbide (SiC) tube, which could be used as cladding for a nuclear fuel rod. The flash-heating experiment was conducted at Oak Ridge National Laboratory and temperature results were analyzed as a two-Dimensional cross section which assumed axial symmetry. The model was fitted iteratively to the temperature measurements using nonlinear regression which required values for thermal diffusivity, Biot number and a term to determine the magnitude of the heat absorbed by the flash. The method could be expanded in the future to estimate the thermal diffusivity of spent nuclear fuel rods in an effort to increase the certainty of new reactor designs using precise thermal properties throughout the core life. A statistical analysis of the results of this work is provided as part of the analysis.

McMasters, Robert L [Virginia Military Institute, ↗
NASA NTRS2005

Chapter 19B - Antenna Radiation Patterns

Modern civil and military aircraft are equipped with a variety of communication devices, radio navigation equipment, and air traffic control systems. For all of these devices appropriate antennas must be available to transmit and receive the signals. As a result, as many as 30 antennas, and sometimes even more, are mounted around today's aircraft. For this reason, it is necessary to know the capabilities of the receiving/transmitting equipment on board. These capabilities are driven by the antenna characteristics. Therefore, coverage, shading, and beam pointing pattern data are necessary for optimum electronic coverage. The aircraft antenna has to convert the available power density of the electromagnetic field to an electric voltage at its connector. This voltage level must be sufficiently high to operate the connected equipment. The reciprocity principle states that it makes no difference if the antenna is receiving or transmitting. For the certification of the aircraft antennas it must be proven that the antennas are at least generating the minimum receiver input voltage which is required for each radio service. The prime condition is, of course, that the specified field power densities of the different radio navigation and communication services are available. An important property of a radio frequency link is the electro-magnetic field intensity at every point in space for a given output power of the antenna. As the propagation of radio frequency waves in free space is well known, the spatial distribution of the field intensity needs only be measured at one spatial sphere around the antenna. The information is usually given as distributions along the circumference of flat sections through this sphere: each of these is called an ARP. Several ARPs are usually required to describe the complete spatial antenna pattern of an antenna. In addition to mathematical modeling, measurements on sub-scale models, and static measurements on full size models or aircraft on the ground, dynamic measurements on aircraft in flight play the most important role in the aircraft antenna testing and certification. [19B-1] The shape of an ARP, for one given frequency, is determined by the shape of the antenna and the shape and material of the surface it is mounted on. As the directly transmitted waves interfere with waves reflected by the aircraft skin with its complex geometry, and the surface material parameters are only roughly known, it is not possible to predict the ARP with the required accuracy. In ground measurements the earth's surface also acts as a reflector thereby causing the ground ARP to be different from the in-flight ARP. As the in-flight ARP is the ARP we are actually interested in it becomes clear that it is necessary to conduct in-flight ARP measurements. The Flight Test Engineer must be aware of the needs of the specialists who are establishing the test program for measuring antenna patterns and radar cross sections. These tests will require special test equipment and dedicated flights to obtain the data that they require. This Section provides an introduction to the principles of determining antenna patterns and the flight techniques for determining both antenna patterns and radar cross section. Reference 19B-1 provides detailed information.

Helmut Bothe↗
NASA NTRSDate not supplied

Performance Assessment of LunaNet’s Augmented Forward Signal

LunaNet provides a common set of interoperable specifications for communication and position, navigation and time (PNT) services and interfaces soon to be implemented in lunar vicinity. The LunaNet Interoperability Specification (LNIS) provides the design for the GNSS-like Augmented Forward Signal (AFS), which enables orbiting and surface users in lunar space, such as Artemis, to estimate their position, velocity, and time. The specification of AFS defines two orthogonal signal components on a single carrier: the in-phase component (AFS-I), a lower-chip-rate data channel tailored for applications where low SWaP (Size, Weight, and Power) is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q), a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in LNIS 2023, with initial analysis results shown in Dafesh 2024 and Dafesh 2025, and the current signal in space description provided in LNIS 2025. As part of NASA's Lunar Communication Relay and Navigation Systems (LCRNS) project, this work expands upon the initial analysis results and proposes a new expanded set of AFS-Q spreading codes that exceed the cross-correlation and autocorrelation sidelobe performance of L1C and other GNSS signals, while providing additional expansion capabilities for future service satellites. A set of 420 codes was selected from a Weil-based code derived from the prime number 10247, which is larger than the 10243 prime number used to derive BeiDou’s B1C Weil sequences. Both the initial set of 210 codes and the expanded set of 420 codes are shown to provide the best cross-correlation of any 10230-chip satellite navigation codes. The performance is demonstrated for hierarchical sets of spreading codes optimized and organized in sets of 30 codes. The work also compares LunaNet’s AFS to terrestrial GNSS signals in terms of acquisition, tracking, and data demodulation performance. Performance is evaluated for receivers that only track the 1.023 MCPS data channel spreading code for low SWaP IoT use cases, as well as for receivers that track both the 1.023 MCPS data channel and the 5.115 MCPS pilot channel spreading code for high-performance use cases. Performance is assessed in the presence of interference and thermal noise. The analysis is performed in terms of expected operating conditions on the lunar surface. Several unique flexibility aspects of the augmented forward signal are described, including the use of the Q channel’s secondary and tertiary codes to enable variable coherent integrations during acquisition. This is compared to GNSS signals such as L5/E5 and MBOC in terms of achievable processing gain for interference mitigation versus acquisition complexity. The work details acquisition and tracking techniques used to optimally acquire and track the primary, secondary, and tertiary codes on the Q channel, as well as acquisition of the I channel spreading code. Acquisition of the 8 ms, Q channel spreading code is also compared to joint acquisition of the I and Q channel primary codes in noise and interference environments

LCRNS↗
NASA NTRS2006

20V, 40 Ah Lithium Ion Polymer Battery for the Spacesuit

Objective: Consider a new battery design for EMU. Results: a) Electrovaya s aerospace cell production line is improving, but must further improve to achieve acceptable reliability; b) Completed functional, vibration, and thermal cycling of LIB; c) So far, electrical safety tests have produced good results; d) Completed functional, vibration, thermal cycling, power quality and EMI of LIB Charger; e) Completed CDR on 9/23/04; and f) Manufacturing Readiness Review for flight cell/battery production scheduled for Dec 04.

Darcy, Eric↗
NASA NTRSDate not supplied

Performance Assessment of LunaNet’s Augmented Forward Signal

LunaNet provides a common set of interoperable specifications for communication and position, navigation and time (PNT) services and interfaces soon to be implemented in lunar vicinity. The LunaNet Interoperability Specification (LNIS) provides the design for the GNSS-like Augmented Forward Signal (AFS), which enables orbiting and surface users in lunar space, such as Artemis, to estimate their position, velocity, and time. The specification of AFS defines two orthogonal signal components on a single carrier: the in-phase component (AFS-I), a lower-chip-rate data channel tailored for applications where low SWaP (Size, Weight, and Power) is critical (e.g., IoT devices or search and rescue), and the quadrature component (AFS-Q), a high-chip-rate data-less pilot signal for high-precision, robust lunar navigation and positioning applications. An initial description of AFS was provided in [1], with initial analysis results shown in [2] and [3] and the current signal in space description provided in [4]. As part of NASA's Lunar Communication Relay and Navigation Systems (LCRNS) project, this work expands upon the initial analysis results and proposes a new expanded set of AFS-Q spreading codes that exceed the cross-correlation and autocorrelation sidelobe performance of L1C and other GNSS signals, while providing additional expansion capabilities for future provider satellites. A set of 420 codes was selected from a Weil-based code derived from the prime number 10247, which is larger than the 10243 prime number used to derive Beidou’s B1C Weil sequences. Both the initial set of 210 codes and the expanded set of 420 codes are shown to provide the best cross-correlation of any 10230-chip satellite navigation codes. The performance is demonstrated for hierarchical sets of spreading codes optimized and organized in sets of 30 codes. The new codes were developed using an optimization approach and correlation methodology described in [5]. The work also compares LunaNet’s AFS to terrestrial GNSS signals in terms of acquisition, tracking, and data demodulation performance. Performance is evaluated for receivers that only track the 1.023 MCPS data channel spreading code for low SWaP IoT use cases, as well as for receivers that track both the 1.023 MCPS data channel and the 5.115 MCPS pilot channel spreading code for high-performance use cases. Performance is assessed in the presence of interference and thermal noise. The analysis is performed in terms of expected operating conditions on the lunar surface. Several unique flexibility aspects of the augmented forward signal are described, including the use of the Q channel’s secondary and tertiary codes to enable variable coherent integrations during acquisition. This is compared to GNSS signals such as L5/E5 and MBOC in terms of achievable processing gain for interference mitigation versus acquisition complexity. The work details acquisition and tracking techniques used to optimally acquire and track the primary, secondary, and tertiary codes on the Q channel, as well as acquisition of the I channel spreading code. Acquisition of the 8 ms Q channel spreading code is also compared to joint acquisition of the I and Q channel primary codes in noise and interference environments.

LCRNS↗
NASA NTRS2026

Biobased Polybenzoxazine Derived from Furfurylamine and Piceol with Low Cure Temperature and Advanced Properties for Composite Matrices

A novel benzoxazine made from furfurylamine, paraformaldehyde, and piceol, Bz-FA-HA, is assessed for applications in fiber reinforced (FR) composites. Piceol is a biobased phenolic compound derived from the roots of Norwegian spruce trees and contains a methyl ketone group at the para position. Bz-FA-HA is a liquid at room temperature, has a viscosity of < 1 Pa.s at temperatures above 90 °C, and a Tonset of cure at 132 °C. The carbonyl is found to react with the furan ring, yielding a crosslinking reaction, when cured above 180 °C as indicated by differential scanning calorimetry and thermogravimetric analysis coupled with Fourier transform infrared spectroscopy. Poly(Bz-FA-HA) has a Tg > 350 °C, attributed to the crosslinking reaction. Furthermore, the storage modulus is > 3 GPa, regardless of cure temperature. Poly(Bz-FA-HA) has a char yield at 800 °C of 65.0 % (62.3 % at 1000 °C), and a Tonset of decomposition of 357 °C in nitrogen. The resulting carbon formed during pyrolysis shrinks during the carbonization reaction and scanning electron microscopy imaging shows a cross-section with micro cracks. The high processability, advanced mechanical properties, and exceptional char yield make it a promising candidate as the matrix for FR composites.

Benzoxazine↗
NASA NTRS1985

Nondestructive Evaluation of Composites By Optical Time Domain Reflectometry

Results in the measurement of slowly varying mechanical loading functions on composites using optical time domain reflectometry (OTDR) in imbedded optical fiber during both simulated manufacture and use are reviewed. First, the basic theoretical and experimental principles of the OTDR system are described. Next, the mechanical system of the composite and the imbedded fiber is analyzed. Results of measurement obtained for various loading functions applied to material specimens are then described and system limitations on spatial resolution, strain amplitude sensitivity, and frequency response are explained in terms of the range and resolution limits of the OTDR system.

R O Claus↗
DOE OSTI2025

Carbon in GaN as a nonradiative recombination center

Trap-assisted nonradiative recombination has been shown to limit the efficiency of optoelectronic devices. While substitutional carbon (⁠C N ) has been suggested to be a nonradiative recombination center in GaN devices, a complete recombination cycle including the two charge-state transition levels has not been previously described. In this work, we investigate the trap-assisted recombination process due to C N in GaN, including multiphonon emission, radiative recombination, trap-assisted Auger–Meitner (TAAM) recombination as well as thermal emission of holes. Our study shows the key role of TAAM processes at the high carrier densities relevant for devices. We also reveal the carrier-density regimes where thermal emission and radiative recombination are expected to play an observable role. Our results highlight that carbon concentrations exceeding ~10 17 cm −3 can have a noticeable impact on device efficiency, not just in GaN active layers but also in InGaN and AlGaN. Furthermore, our comprehensive formalism not only offers detailed results for carbon but also provides a general framework for assessing the multiple processes that participate in trap-assisted recombination in semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Extreme confinement of hydrogen gas within fullerenelike nanoporous carbon

Nanoporous carbons and carbon nanostructures can store hydrogen at cryogenic temperatures but lack the volumetric and gravimetric capacity to be industrially significant. Recent inelastic neutron scattering experiments suggest a highly dense phase of hydrogen at temperatures well above the melting point of solid hydrogen. However, it remains unclear how pore geometry and intermolecular interactions enable these dense phases to exist, with dispersion (van der Waals) or electrostatic/induction suggested to be the key effects in slit and curved pores but their relative contributions have yet to be quantified. In this paper, we perform benchmark electronic structure calculations allowing the interactions between planar and curved aromatic molecules with hydrogen to be accurately determined. Dispersion was found to dominate over electrostatic and inductive effects with some many-body charge transfer (Dobson type-A) effects needed to capture the most highly curved structures. Density functional methods that include type-A many-body effects were found to accurately describe the intermolecular interactions at a fraction of the cost of coupled-cluster simulations and these approaches were used to calculate the energies inside large carbon bowl and slit pores. The interaction energies inside the bowl pores were found to depend on the orientation of the hydrogen molecule. This rotational barrier, modeled as a quantum hindered rotor, could reproduce the peak splitting observed in inelastic neutron scattering experiments, with weak splitting arising from bowl-like fullerene pores and strong splitting from highly confining nanotubelike pores. Increasing the fraction of such curved pores in nanoporous carbons may therefore offer a pathway to enhance their hydrogen-storage capacity. Moreover, the preferential adsorption of ortho hydrogen on nanotubelike pores could enable the storage of high-density hydrogen without the need to remove heat produced during the ortho-para hydrogen conversion.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Robust Spectral Anomaly Detection in EELS Spectral Images via 3D Convolutional Variational Autoencoders

Abstract A 3D Convolutional Variational Autoencoder (3D‐CVAE) is introduced for automated anomaly detection in electron energy‐loss spectroscopy spectrum imaging (EELS‐SI) data. This approach leverages the full 3D structure of EELS‐SI data to detect subtle spectral anomalies while preserving both spatial and spectral correlations across the datacube. By employing cross‐entropy loss and training on bulk spectra, the model learns to reconstruct bulk features characteristic of the defect‐free material. In exploring methods for anomaly detection, both the 3D‐CVAE approach and principal component analysis (PCA) are evaluated, testing their performance using FeL‐edge ΔEpeak shifts designed to simulate material defects. These results show that 3D‐CVAE achieves superior anomaly detection and maintains consistent performance across various shift magnitudes. The method demonstrates clear bimodal separation between bulk and anomalous spectra, enabling reliable classification. Further analysis verifies that lower‐dimensional representations are robust to anomalies in the data. While performance advantages over PCA diminish with decreasing anomaly concentration, our method maintains high reconstruction quality even in challenging, noise‐dominated spectral regions. This approach provides a robust framework for unsupervised automated detection of spectral anomalies in EELS‐SI data, particularly valuable for analyzing complex material systems.

Chemistry↗
NASA NTRSDate not supplied

Advanced Composite Structures and Materials Technologies for Launch Vehicles

The NASA's Advanced Composites Technologies (ACT) Project has the potential to develop composite materials and structures technologies for the largest composite aerospace structures ever made. The objective the ACT Project of is to develop mid-technology readiness level (TRL) composite materials and structures technologies to TRL 6 for specific heavy lift Ares V launch vehicle and Altair lunar lander applications. To accomplish this objective, the ACT Project has four major technical elements: materials and manufacturing; structural concepts development and assessment of lightweight components; testing and evaluation; and highly loaded composite struts. The Project uses capabilities from across NASA to form multi-disciplinary, cross-center teams to meet the milestones of these technical elements. This presentation will describe the activities and plans for the ACT Project. Studies from the first execution year of the project will be summarized including results from materials selection and structural concept evaluation studies. Plans for continuing activities include studies for nondestructive evaluation/structural health monitoring, damage tolerance, joints, and material and structural testing, and these studies will be described. A major emphasis this fiscal year is the start of work for a manufacturing demonstration barrel. This structure will be composed of six, 5-m-diameter, 3-m-long curved panels that when assembled, result in a 10-m-diameter barrel. Activities related to the development of this structure will also be described.

Mark J Shuart↗
NASA NTRSDate not supplied

Development and Validation of a High-Vacuum Thermal Conductivity Testbed for Aerospace Interface Materials

Spacecraft thermal margins depend on the temperature penalty of installed interfaces, yet catalog conductivity omits bondline thickness, mating surfaces, preload, and environment. The Testbed for Advanced Interface Materials in Vacuum (TAIMV) addresses this engineering-data gap by converting ambient/vacuum temperature fields from a four-coupon stack into quantities usable in spacecraft thermal models. Its 17-node steady-state model resolves axial conduction, parasitic fixture paths, grease-filled contact, radiation, and ambient convection. Four monolithic checks gave axial heat-rate ratios of 0.90–1.02, and Braycote calibration self-recovery gave 2.20% casewise mean absolute percentage error (MAPE) and 2.85% maximum difference. With transferable fixture terms frozen, Krytox LVP tested cross-material transfer against a manufacturer-derived external relation. The six Krytox cases gave 2.28% MAPE, 5.10% maximum difference, and full-field residual root-mean-square values of 0.553 °C ambient and 1.306 °C vacuum. Installed-joint resistance spanned 6.39–7.15 × 10⁻⁴ m²·K/W for Braycote and 4.09–4.49 × 10⁻⁴ m²·K/W for Krytox, corresponding to 2.33–6.66 K per modeled interface over the tested heat-flux range. TAIMV therefore supplies directly usable installed-joint resistance and conductance, plus apparent installed conductivity and explicitly model-conditioned grease conductivity/contact terms.

heat transfer↗
DOE OSTI2026

Interaction of Soil pH and Mineralogy Controls Soil Organic Matter Persistence through Changes in the Composition and Amount of Microbial Necromass

Microbial necromass–mineral associations are key to long-term soil organic matter (SOM) persistence. However, how soil pH and mineralogy interact to regulate SOM stability remains poorly understood. Here, we used artificial soils to test how three clay minerals (bentonite, kaolinite, and goethite), adjusted to four pH levels (5–8), affect microbial activity (respiration), microbial physiology (carbon use efficiency, CUE), microbial-derived residue material (necromass), and the formation and stability of mineral-associated organic matter (MAOM). Artificial soils were inoculated with a rhizosphere-derived microbial community cultured under the same pH conditions and on two representative simulated exudate types (organic acids and carbohydrates) and incubated for 6 weeks. In two complementary experiments, we added necromass from known microbial taxa to the same minerals across pH levels to isolate the role of necromass chemistry and loading. We found that soil pH shaped MAOM chemistry by altering microbial activity and necromass composition. In interaction with mineral type, pH also controlled MAOM thermal stability. Higher necromass loading weakened mineral-organic bonding, reducing MAOM stability, consistent with zonal mineral–organic interaction models. Our results demonstrate that microbial activity, rather than carbon use efficiency, better predicts MAOM formation and that pH-dependent necromass composition and loading govern MAOM persistence. These findings advance mechanistic understanding of SOM stabilization and have implications for predicting soil carbon dynamics under shifting environmental conditions.

carbon use efficiency↗
DOE OSTI2022

Quantum Circuits for the Preparation of Spin Eigenfunctions on Quantum Computers

The application of quantum algorithms to the study of many-particle quantum systems requires the ability to prepare wave functions that are relevant in the behavior of the system under study. Hamiltonian symmetries are important instruments used to classify relevant many-particle wave functions and to improve the efficiency of numerical simulations. In this work, quantum circuits for the exact and approximate preparation of total spin eigenfunctions on quantum computers are presented. Two different strategies are discussed and compared: exact recursive construction of total spin eigenfunctions based on the addition theorem of angular momentum, and heuristic approximation of total spin eigenfunctions based on the variational optimization of a suitable cost function. The construction of these quantum circuits is illustrated in detail, and the preparation of total spin eigenfunctions is demonstrated on IBM quantum devices, focusing on three- and five-spin systems on graphs with triangle connectivity.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Phosphorylation toggles the SARS-CoV-2 nucleocapsid protein between two membrane-associated condensate states

Abstract The Nucleocapsid protein (N) of SARS-CoV-2 plays a critical role in the viral lifecycle by regulating RNA replication and by packaging the viral genome. N and RNA phase separate to form condensates that may be important for these functions. Both functions occur at membrane surfaces, but how N toggles between these two membrane-associated functional states is unclear. Here, we reveal that phosphorylation switches how N condensates interact with membranes, in part by modulating condensate material properties. Our studies also show that phosphorylation alters N’s interaction with viral membrane proteins. We gain mechanistic insight through structural analysis and molecular simulations, which suggest phosphorylation induces a conformational change in N that softens condensate material properties. Together, our findings identify membrane association as a key feature of N condensates and provide mechanistic insights into the regulatory role of phosphorylation. Understanding this mechanism suggests potential therapeutic targets for COVID infection.

Science & Technology - Other Topics↗
DOE OSTI2024

Derivation of low-energy Hamiltonians for heavy-fermion materials

Here, by utilizing a multiorbital periodic Anderson model with parameters obtained from ab initio band structure calculations, combined with degenerate perturbation theory, we derive effective Kondo-Heisenberg and spin Hamiltonians that capture the interaction among the effective magnetic moments. This derivation encompasses fluctuations via both nonmagnetic 4⁢𝑓 0 and magnetic 4⁢𝑓 2 virtual states, and its accuracy is confirmed through comparison with experimental data obtained from CeIn 3 . The significant agreement observed between experimental results and theoretical predictions underscores the potential of deriving minimal models from first-principles calculations for achieving a quantitative description of 4⁢𝑓 materials. Moreover, our microscopic derivation unveils the underlying origin of anisotropy in the exchange interaction between Kramers doublets, shedding light on the conditions under which this anisotropy may be weak compared to the isotropic contribution.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗