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At least 289 records · Page 16

Dislocation density in fine grain-size spark-plasma sintered aluminum measured using high brightness synchrotron radiation

In this study, three-dimensional orientation mapping of samples of aluminum prepared by spark plasma sintering (SPS) with average grain sizes of 5 μm and 1 μm has been carried out using high-brightness synchrotron radiation, from which the geometrically necessary dislocation (GND) density has been determined. The low average measured GND density values confirm that the SPS process can be used to produce samples containing grains with dislocation density similar to that of fully recrystallized coarse-grained samples. Values of GND density are also compared to those obtained from electron back-scatter diffraction studies on the same material, highlighting the significantly higher angular resolution of the synchrotron data. For the 5 μm grain-size sample the measured GND density can account for a large fraction of the previously observed positive Hall-Petch deviation of this material. For the 1 μm grain-size sample, however, the GND-based strengthening contribution is much smaller than the reported positive Hall-Petch deviation, such that the additional strength may be reliably associated with dislocation source-limited strengthening.

36 MATERIALS SCIENCE↗

Nanopillar-based enhanced-fluorescence detection of sur-face-immobilized beryllium.

The unique properties associated with beryllium metal ensures the continued use in many industries despite the documented health and environmental risks. While engineered safeguards and personal protective equipment can reduce risks associated with working with the metal, it has been mandated by the Environmental Protection Agency (EPA) and Occupational Safety and Health Administration (OSHA) that the workplace air and surfaces must be monitored for toxic levels. While many methods have been developed to monitor levels down to the low μg/m 3 , the complexity and expense of these methods have driven the investigation into alternate methodologies. Herein, we use a combination of the previously developed fluorescence Be(II) ion detection reagent, 10-hydroxybenzo[h]quinoline (HBQ), with an optical field enhanced silicon nanopillar array, creating a new surface immobilized (si-HBQ) platform. The si-HBQ platform allows the positive control of the reagent for demonstrated reusability and a pillar diameter based tunable enhancement. Furthermore, native silicon nanopillars are overcoated with thin layers of porous silicon oxide to develop an analytical platform capable of a 0.0006 μg/L limit of detection (LOD) using sub-μL sample volumes. Additionally, we demonstrate a method to multiplex the introduction of the sample to the platform, with minimal 5.2% relative standard deviation (RSD) at 0.1 μg/L, to accommodate the potentially large number of samples needed to maintain industrial compliance. The minimal sample and reagent volumes and lack of complex and highly specific instrumentation, as well as positive control and reusability of traditionally consumable reagents, create a platform that is both accessible and economically advantageous.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Representing Fine‐Scale Topographic Effects on Surface Radiation Balance in Hyper‐Resolution Land Surface Models

Land surface models are increasingly used to simulate land surface processes at hyper-spatial resolutions (e.g., ∼1 km). As model resolution increases, grid-scale topographic effects on surface radiation fluxes and their interactions between adjacent grids become more pronounced. However, current land surface models routinely neglect the fine-scale topographic effects on surface radiation balance. This study developed physically-based and computationally-efficient parameterizations (fineTOP) that explicitly resolve fine-scale topographic effects on downward shortwave and longwave radiation as well as land surface radiative properties. The newly developed parameterizations were implemented and tested in the Energy Exascale Earth System Model (E3SM) Land Model (ELM). Multi-decadal km-resolution ELM simulations over the California Sierra Nevada show that fine-scale topography significantly impacts the surface energy balance and snow processes across seasons. Slope determines the magnitude of topographic effects, while aspect controls their sign. For slopes larger than 30°, topography-induced change in annual surface temperature can be as large as 3.3 K. Regionally, the mean value and standard deviation of topography-induced changes in annual surface temperature are −0.22 ± 0.38 K and +0.25 ± 0.37 K over north-facing and south-facing slopes, respectively. Topography-induced changes in surface radiative properties account for 3.5% ± 13.8% of total topographic effects on annual net radiation. With fineTOP, ELM captures the aspect-dependence of snow cover fraction, snow water equivalent, and land surface temperature found in MODIS satellite observations and a snow reanalysis data set, while the default ELM fails to capture this phenomenon. The enhanced capability to represent fine-scale topographic effects on surface radiation balance can be used to advance understanding of the role of fine-scale topography in land surface processes and land-atmosphere interactions over mountainous regions.

Hao, Dalei [Pacific Northwest National Laboratory ↗

Multiscale analysis of the CMB temperature derivatives

We study the Planck CMB temperature at different scales through its derivatives up to second order, which allows one to characterize the local shape and isotropy of the field. The problem of having an incomplete sky in the calculation and statistical characterization of the derivatives is addressed in the paper. The analysis confirms the existence of a low variance in the CMB at large scales, which is also noticeable in the derivatives. Moreover, deviations from the standard model in the gradient, curvature and the eccentricity tensor are studied in terms of extreme values on the data. As it is expected, the Cold Spot is detected as one of the most prominent peaks in terms of curvature, but additionally, when the information of the temperature and its Laplacian are combined, another feature with similar probability at the scale of 10{sup o} is also observed. However, the p -value of these two deviations increase above the 6% when they are referred to the variance calculated from the theoretical fiducial model, indicating that these deviations can be associated to the low variance anomaly. Finally, an estimator of the directional anisotropy for spinorial quantities is introduced, which is applied to the spinors derived from the field derivatives. An anisotropic direction whose probability is <1% is detected in the eccentricity tensor.

79 ASTRONOMY AND ASTROPHYSICS↗

Magnetic order and physical properties of the kagome metal UNb 6 ⁢Sn 6

The 𝑅⁢𝑀 6 ⁢𝑋 6 family of materials (𝑅 = rare-earth, 𝑀 = transition metal, 𝑋 = Ga, Si, Ge, Sn) produces an array of emergent phenomena, such as charge density waves, intrinsic Hall effects, and complex magnetic order, due to its kagome net of transition metal atoms, its local-moment magnetic anisotropies, and its extensive chemical tunability. Here, in this study, we report UNb 6⁢ Sn 6 , a new “166” material containing both an actinide and a 4⁢𝑑 transition metal, along with its nonmagnetic analog ThNb6⁢Sn6, to investigate the properties of a 5⁢𝑓−4⁢𝑑 electron 166 system. UNb 6 ⁢Sn 6 crystallizes in the hexagonal 𝑃⁢6/𝑚⁢𝑚⁢𝑚 space group with a small degree of disorder due to shifts in the size of the CoSn-like cages along the 𝑐 axis. Upon cooling at zero magnetic field, the material undergoes two magnetic phase transitions at 𝑇 2 = 46K and 𝑇 N = 43K. The low-temperature, zero-field phase is an antiferromagnet with ordered uranium moments and a k = (0,0,1/2) propagation vector determined by neutron diffraction. Remarkably, with a magnetic field applied along the 𝑐 axis, five additional magnetic transitions occur, evidenced by magnetization and resistivity data, before the moment saturates at 2.62 𝜇 B /U at 2 K and ≥ 13.6T. In two magnetic phase regions, the Hall resistivity of UNb 6⁢ Sn 6 significantly deviates from the magnetization, suggesting that the phases have a large Berry curvature or a change in the Fermi surface. The unknown magnetic ordering of the field-dependent phases of UNb 6⁢ Sn 6 demonstrates the complexity of the 5⁢𝑓−4⁢𝑑 166 system and encourages further study of its properties.

36 MATERIALS SCIENCE↗

Grain-Boundary Resistance in Copper Interconnects: From an Atomistic Model to a Neural Network

Orientation effects on the specific resistance of copper grain boundaries are studied systematically with two different atomistic tight-binding methods. A methodology is developed to model the specific resistance of grain boundaries in the ballistic limit using the embedded atom model, tight- binding methods, and nonequilibrium Green’s functions. The methodology is validated against first-principles calculations for thin films with a single coincident grain boundary, with 6.4% deviation in the specific resistance. A statistical ensemble of 600 large, random structures with grains is studied. For structures with three grains, it is found that the distribution of specific resistances is close to normal. Finally, a compact model for grain-boundary-specific resistance is constructed based on a neural network.

74 ATOMIC AND MOLECULAR PHYSICS↗

Breakdown of the Migdal-Eliashberg theory: A determinant quantum Monte Carlo study

The superconducting (SC) and charge-density-wave (CDW) susceptibilities of the two-dimensional Holstein model are computed using determinant quantum Monte Carlo, and compared with results computed using the Migdal-Eliashberg (ME) approach. We access temperatures as low as 25 times less than the Fermi energy, E F , which are still above the SC transition. We find that the SC susceptibility at low T agrees quantitatively with the ME theory up to a dimensionless electron-phonon coupling λ 0 ≈ 0.4 but deviates dramatically for larger λ 0 . We find that for large λ 0 and small phonon frequency ω 0 << E F CDW ordering is favored and the preferred CDW ordering vector is uncorrelated with any obvious feature of the Fermi surface.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nucleon transverse momentum-dependent parton distributions in lattice QCD: Renormalization patterns and discretization effects

Lattice QCD calculations of transverse momentum-dependent parton distribution functions (TMDs) in nucleons are presented in this paper, based on the evaluation of nucleon matrix elements of quark bilocal operators with a staple-shaped gauge connection. Both time-reversal odd effects, namely, the generalized Sivers and Boer-Mulders transverse momentum shifts, as well as time-reversal even effects, namely, the generalized transversity and one of the generalized worm-gear shifts, are studied. Results are obtained on two different n f = 2 + 1 flavor ensembles with approximately matching pion masses but very different discretization schemes: domain-wall fermions (DWF) with lattice spacing a = 0.084 fm and pion mass 297 MeV, and Wilson-clover fermions with a = 0.114 fm and pion mass 317 MeV. Comparison of the results on the two ensembles yields insight into the length scales at which lattice discretization errors are small, and into the extent to which the renormalization pattern obeyed by the continuum QCD TMD operator continues to apply in the lattice formulation. For the studied TMD observables, the results are found to be consistent between the two ensembles at sufficiently large separation of the quark fields within the operator, whereas deviations are observed in the local limit and in the case of a straight link gauge connection, which is relevant to the studies of parton distribution functions. Finally and furthermore, the lattice estimates of the generalized Sivers shift obtained here are confronted with, and are seen to tend towards, a phenomenological estimate extracted from experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Calculation of the Geometric Factor in a New Experiment Aimed at Studying Radiative Neutron Decay

A new experiment aimed at studying radiative neutron decay is proposed. The respective experimental procedure reduces to measuring the time spectra of triple coincidences of the emitted photon, beta electron, and recoil proton along with the spectrum of double coincidences of ordinary decay products. By means of this procedure, we were able to measure for the first time the branching ratio for radiative neutron decay, BR = (3.2 ± 1.6) × 10{sup −3} (at a confidence level of C.L. = 99.7%, the photon energy being in excess of 35 keV) in 2005 at our old setup. The average value of this branching ratio was greater by a factor of 1.5 than its theoretical counterpart calculated on the basis of the Standard Model. However, we cannot state that we have seen a deviation fromthe StandardModel prediction since the experimental error was quite large in that experiment. The present study is devoted to implementing, by means of the popular Geant4 code package, a computer analog of the respective experiment at a new facility. Our calculations reveal that the resulting geometri©factor values make it possible to a accumulate, in a live experiment, a data sample sufficient for measuring the above branching ratio to a precision of a few percent.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Unveiling Temporal Performance Deviation: Leveraging Clustering in Microservices Performance Analysis

As the market for cloud computing continues to grow, an increasing number of users are deploying applications as microservices. The shift introduces unique challenges in identifying and addressing performance issues, particularly within large and complex infrastructures. To address this challenge, we propose a methodology that unveils temporal performance deviations in microservices by clustering containers based on their performance characteristics at different time intervals. Showcasing our methodology on the Alibaba dataset, we found both stable and dynamic performance patterns, providing a valuable tool for enhancing overall performance and reliability in modern application landscapes.

Clustering↗

Implementation of a Portable HPGe for Field Contamination Assay

In this work, using MCNP to construct a detector model based initially on x-ray images of a portable high purity germanium (HPGe) detector followed by normalizing covering material values to also agree with check source responses, a validation of the model was attained. By calibrating the detector parameters using large count spectra, rigorous reproducibility is attained for high activity measurements but does not prevent deviations from normality in error distributions at the very low count events where spectral peaks are not always identifiable. The resulting model was created to allow operational assay of contamination over large areal distributions that could not otherwise be measured, such as the exhaust shaft at the Waste Isolation Pilot Plant (WIPP). Results indicate that contamination levels of activity in the exhaust shaft can be assayed to within a factor of 2. Lastly, detection limits are evaluated to be well below the contamination levels, which would constitute a legal environmental release if unfiltered ventilation of the underground facility were used.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Exact solutions and attractors of higher-order viscous fluid dynamics for Bjorken flow

We consider causal higher order theories of relativistic viscous hydrodynamics in the limit of one-dimensional boost-invariant expansion and study the associated dynamical attractor. We obtain evolution equations for the inverse Reynolds number as a function of Knudsen number. The solutions of these equations exhibit attractor behavior which we analyze in terms of Lyapunov exponents using several different techniques. We compare the attractors of the second-order Müller-Israel-Stewart (MIS), transient Denicol-Niemi-Molnar-Rischke (DNMR), and third-order theories with the exact solution of the Boltzmann equation in the relaxation-time approximation. It is shown that for Bjorken flow the third-order theory provides a better approximation to the exact kinetic theory attractor than both MIS and DNMR theories. For three different choices of the time dependence of the shear relaxation rate we find analytical solutions for the energy density and shear stress and use these to study the attractors analytically. By studying these analytical solutions at both small and large Knudsen numbers we characterize and uniquely determine the attractors and Lyapunov exponents. While for small Knudsen numbers the approach to the attractor is exponential, strong power-law decay of deviations from the attractor and rapid loss of initial state memory are found even for large Knudsen numbers. Implications for the applicability of hydrodynamics in far-off-equilibrium situations are discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Numerical Investigation of a Central Fuel Property Hypothesis under Boosted Spark-ignition Conditions

In the present work, a central fuel property hypothesis (CFPH), which states that fuel properties are sufficient to provide an indication of a fuel's performance irrespective of its chemical composition, was numerically investigated In particular, the objective of the study was to determine whether Research Octane Number (RON) and Motor Octane Number (MON), as fuel properties, are sufficient to describe a fuel's knock-limited performance under boosted spark-ignition (SI) conditions within the framework of CFPH. To this end, four TPRF-bioblendstock surrogates having different compositions but matched RON (= 98) and MON (= 90), were first generated using a non-linear regression model based on artificial neural network (ANN). Three unconventional bioblendstocks were included in the analysis: Di-isobutylene (DIB), Isobutanol and Anisole. Skeletal reaction mechanisms were generated for the TPRF-DIB, TPRF-isobutanol and TPRF-anisole blends from a detailed kinetic mechanism. Thereafter, numerical simulations were performed for the fuel surrogates using the skeletal mechanisms and a virtual cooperative fuel research (CFR) engine model, under a representative boosted operating condition. In the computational fluid dynamics (CFD) model, the G-equation approach was employed to track the turbulent flame front and the well-stirred reactor model combined with multi-zone binning strategy was used to capture auto-ignition in the end-gas. In addition, laminar flame speed was tabulated for each blend as a function of pressure, temperature and equivalence ratio a priori, and the lookup tables were used to prescribe laminar flame speed as an input to the G-equation model. Parametric spark timing sweeps were performed for each fuel blend to determine the corresponding knock-limited spark advance (KLSA) and 50% burn point (CA50) at the respective KLSA timing. It was observed that despite same RON, MON and engine operating conditions, the TPRF-Anisole blend exhibited markedly different knock-limited performance from the other three blends. This deviation from the octane index (DI) expectation was shown to be caused by differences in laminar flame speed (LFS). However; it was found that relatively large fuel-specific differences in LFS (> 20%) would have to be present to cause any appreciable deviation from the 01 framework. Otherwise, RON and MON would still be robust enough to predict a fuel's knock-limited performance.

Pal, Pinaki↗

Magnetic structure and properties of the compositionally complex perovskite (Y 0.2 La 0.2 Pr 0.2 Nd 0.2 Tb 0.2 )MnO 3

Large configurational disorder in compositionally complex ceramics can lead to unique functional properties that deviate from traditional rules of alloy mixing. In recent years, compositionally complex oxides (CCOs) have shown intriguing magnetic behavior including long-range order, enhanced magnetic exchange couplings, and mixed phase magnetic structures. This work focuses on how large local spin disorder affects magnetic ordering in a CCO. Specifically, we investigated the A-site alloyed perovskite, (Y 0.2 La 0.2 Pr 0.2 Nd 0.2 Tb 0.2 )MnO 3 , or (5A)MnO 3 , using a combination of bulk magnetometry, synchrotron X-ray diffraction, and temperature-dependent neutron diffraction. The five A-site ions have an average spin and ionic radius nearly equal to that of Nd 3+ ions, which minimizes structural distortions and allows for an understanding of the local spin disorder effects through a direct comparison with NdMnO 3 . Our magnetometry data show that (5A)MnO 3 exhibits two distinct phase transitions associated with the A-site and B-site sublattices, as seen in NdMnO 3 , as well as the presence of domain pinning and exchange bias at low temperature, suggesting a mixed phase magnetic ground state, as seen in other magnetic CCOs. Neutron powder diffraction shows clear long-range antiferromagnetic ordering below 67 K and refines to a Pn'ma' magnetic structure at low temperature, in excellent agreement with the well-studied behavior of NdMnO 3 . The two most notable differences in (5A)MnO 3 magnetism apparent from our data are a slight suppression of the B-site ordering temperature, which is explained by a smaller Mn–O–Mn bond angle in (5A)MnO 3 than NdMnO 3 , and the presence of a magnetic susceptibility transition above the B-site ordering, which could indicate the formation of a cluster glass but requires further study. Finally, this work demonstrates a general method of isolated investigation of size and spin disorder in CCOs and motivates future work using local structure probes to better understand the effects of nanoscale clustering and local spin disorder in magnetic CCOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Robust supermoiré pattern in large-angle single-twist bilayers

Forming long-wavelength moiré superlattices in van der Waals bilayers that have a small-angle twist between the two layers has been a key approach for creating moiré flat bands. However, for small twist angles, strong lattice reconstruction creates domain walls and other forms of disorder in the moiré pattern, posing considerable challenges for engineering such platforms. At large twist angles, the lattices are more rigid, but it is difficult to produce flat bands in shorter-wavelength moiré superlattices. Here, in this study, we introduce an approach for tailoring robust supermoiré structures in bilayers of transition-metal dichalcogenides using only a single twist near a commensurate angle. Structurally, we show the spontaneous formation of a periodic arrangement of three inequivalent commensurate moiré stackings, where the angle deviation from the commensurate angle determines the periodicity. Electronically, we reveal a large set of van Hove singularities that indicate strong band hybridization, leading to flat bands near the valence band maximum. Our study extends the study of the interplay among band topology, quantum geometry and moiré superconductivity to the large twist angle regime.

electronic properties and materials↗

Lyα emitter galaxies at z ∼ 2.8 in the extended Chandra Deep Field South. I. Tracing the large-scale structure via Lyα imaging

We present a narrowband survey with three adjacent filters for z = 2.8–2.9 Lyman alpha (Lyα) emitter (LAE) galaxies in the Extended Chandra Deep Field South (ECDFS), along with spectroscopic follow-up. With a complete sample of 96 LAE candidates in the narrowband NB466, we confirm the large-scale structure at z ∼ 2.8 suggested by previous spectroscopic surveys. Compared to the blank field detected with the other two narrowband filters NB470 and NB475, the LAE-density excess in NB466 (900 arcmin{sup 2}) is ∼ 6.0 ± 0.8 times the standard deviation expected at z ∼ 2.8, assuming a linear bias of 2. The overdense large-scale structure in NB466 can be decomposed into four protoclusters, whose overdensities (each within an equivalent comoving volume 15{sup 3} Mpc{sup 3}) relative to the blank field (NB470+NB475) are in the range of 4.6–6.6. These four protoclusters are expected to evolve into a Coma-like cluster (M ≥ 10{sup 15} M {sub ⊙}) at z ∼ 0. We also investigate the various properties of LAEs at z = 2.8–2.9 and their dependence on the environment. The average star formation rates derived from the Lyα, rest-frame UV, and X-ray bands are ∼4, 10, and <16 M {sub ⊙} yr{sup −1}, respectively, implying a Lyα escape fraction of 25% ≲ f{sub ESC}{sup Lyα} ≲ 40% and a UV continuum escape fraction of f{sub ESC}{sup UV,cont} ≳ 62% for LAEs at z ∼ 2.8. The Lyα photon density calculated from the integrated Lyα luminosity function in the overdense field (NB466) is ∼50% higher than that in the blank field (NB470+NB475), and more bright LAEs are found in the overdense field. The three brightest LAEs, including a quasar at z = 2.81, are all detected in the X-ray band and in NB466. These three LAE-active galactic nuclei contribute an extra 20%–30% Lyα photon density compared to other LAE galaxies. Furthermore, we find that LAEs in overdense regions have larger equivalent width values, bluer U − B and V − R (∼2–3σ) colors compared with those in lower density regions, indicating that LAEs in overdense regions are younger and possible less dusty. We conclude that the structure at z ∼ 2.8 in the ECDFS field is a very significant and rare density peak similar to the SSA22 protocluster, and narrowband imaging is an efficient method of detecting and studying such structures in the high-z universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum and classical behavior in interacting bosonic systems

It is understood that in free bosonic theories, the classical field theory accurately describes the full quantum theory when the occupancy numbers of systems are very large. However, the situation is less understood in interacting theories, especially on time scales longer than the dynamical relaxation time. Recently there have been claims that the quantum theory deviates spectacularly from the classical theory on this time scale, even if the occupancy numbers are extremely large. Furthermore, it is claimed that the quantum theory quickly thermalizes while the classical theory does not. The evidence for these claims comes from noticing a spectacular difference in the time evolution of expectation values of quantum operators compared to the classical micro-state evolution. If true, this would have dramatic consequences for many important phenomena, including laboratory studies of interacting BECs, dark matter axions, preheating after inflation, etc. In this work we critically examine these claims. We show that in fact the classical theory can describe the quantum behavior in the high occupancy regime, even when interactions are large. The connection is that the expectation values of quantum operators in a single quantum micro-state are approximated by a corresponding classical ensemble average over many classical micro-states. Furthermore, by the ergodic theorem, a classical ensemble average of local fields with statistical translation invariance is the spatial average of a single micro-state. So the correlation functions of the quantum and classical field theories of a single micro-state approximately agree at high occupancy, even in interacting systems. Furthermore, both quantum and classical field theories can thermalize, when appropriate coarse graining is introduced, with the classical case requiring a cutoff on low occupancy UV modes. We discuss applications of our results.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Quantum Versus Classical Switching Dynamics of Driven Dissipative Kerr Resonators

Here, we report a first-principles study of the driven dissipative dynamics for Kerr oscillators in the mesoscopic regime. This regime is characterized by large Kerr nonlinearity, realized here using the nonlinear kinetic inductance of a large array of Josephson junctions. The experimentally measured nonlinear resonance lineshapes of the junction array modes show significant deviations from steady-state numerical predictions, and necessitate time-dependent numerical simulations indicative of strong measurement-induced dephasing in the system arising from the large cross-Kerr effect between array modes. Analytical and numerical calculations of switching rate corroborate this by showing the emergence of a slow time scale, which is much longer than the linear decay rate and is set by fluctuation-induced switching times in the bistable regime. Furthermore, our analysis shows that the usual quantum-activated escape treatment is inadequate for prediction of the switching rates at large frequency shifts caused by strong nonlinearities, necessitating a quantum treatment that utilizes the full system Liouvillian. Based on our analysis, we identify a universal crossover parameter that delineates the regimes of validity of semiclassical and quantum descriptions, respectively. Our work shows how dynamical switching effects in strongly nonlinear systems provide a platform to study quantum-to-classical transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗