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At least 181 records · Page 10

High-Throughput Screening and Accurate Prediction of Ionic Liquid Viscosities Using Interpretable Machine Learning

Ionic liquids (ILs) are a novel group of green solvents with great promise for various industrial applications, including carbon capture and lignocellulosic biomass deconstruction. However, the use of ILs at the industrial scale remains challenging due to their high viscosities at ambient temperatures. To develop ILs with lower viscosities, a systematic study of their quantitative structure–property relationship (QSPR) is desirable. Here, we developed four machine learning (ML) models to predict viscosity at various temperature and pressure ranges, trained over a wide range of ILs consisting of various cationic and anionic families. ML methods including two-factor polynomial regression (two-factor PR), support vector regression (SVR), feed-forward neural networks (FFNN), and categorical boosting (CATBoost) were developed based on features that have proven useful in previous ML studies: COSMO-RS (conductor-like screening model for real solvents)-derived surface screening charge densities (sigma profiles). FFNN and CATBoost were the most accurate in predicting IL viscosities with lower average absolute relative deviation and higher R2 values on the test set. Tanimoto similarity scores were calculated to characterize the chemical space and structural similarity of the investigated ions. Furthermore, SHapley Additive exPlanation (SHAP) analysis was employed to interpret the ML results. Temperature, the polar area of ILs, and the nonpolar regions of ions are key features that influence the viscosity predictions. Importantly, the IL viscosity prediction here is the most accurate reported to date.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

CALPHAD-based Bayesian optimization to accelerate alloy discovery for high-temperature applications

Two crucial properties influencing the performance of high-temperature alloys are coefficient of thermal expansion (CTE) and phase constitution. It is desirable to have alloys with low CTE, which reduces CTE mismatch with the surface oxide and the likelihood of oxide spallation. Reducing the amount of brittle intermetallic phases such as Sigma (σ) enhances alloy ductility and processability. Here, we propose a multi-objective Bayesian Optimization (BO) model to simultaneously minimize CTE (at an operational temperature of 1150 °C) and T σ (temperature when the Sigma phase completely dissolves in the metal matrix), properties which are obtained from high-throughput CALculation of PHAse Diagrams (CALPHAD). The model successfully identifies several alloys with CTE ≤ 2 × 10 –5 /K and T σ ≤ 500 °C by exploring just 7% of the nickel–chromium–cobalt–aluminum–iron (Ni–Cr–Co–Al–Fe) composition space. Such multi-objective alloy design frameworks can be used to inform additive manufacturing experiments and accelerate alloy discovery for high-temperature energy applications.

36 MATERIALS SCIENCE↗

New physics in rare B decays after Moriond 2021

Abstract The anomalies in rare B decays endure. We present results of an updated global analysis that takes into account the latest experimental input – in particular the recent results on $$R_K$$ R K and BR $$(B_s \rightarrow \mu ^+\mu ^-)$$ ( B s → μ + μ - ) – and that qualitatively improves the treatment of theory uncertainties. Fit results are presented for the Wilson coefficients of four-fermion contact interactions. We find that muon specific Wilson coefficients $$C_9 \simeq -0.73$$ C 9 ≃ - 0.73 or $$C_9 = -C_{10} \simeq -0.39$$ C 9 = - C 10 ≃ - 0.39 continue to give an excellent description of the data. If only theoretically clean observables are considered, muon specific $$C_{10} \simeq 0.60$$ C 10 ≃ 0.60 or $$C_9=-C_{10} \simeq -0.35$$ C 9 = - C 10 ≃ - 0.35 improve over the Standard Model by $$\sqrt{\Delta \chi ^2} \simeq 4.7\sigma $$ Δ χ 2 ≃ 4.7 σ and $$\sqrt{\Delta \chi ^2} \simeq 4.6\sigma $$ Δ χ 2 ≃ 4.6 σ , respectively. In various new physics scenarios we provide predictions for lepton flavor universality observables and CP asymmetries that can be tested with more data. We update our previous combination of ATLAS, CMS, and LHCb data on BR $$(B_s \rightarrow \mu ^+\mu ^-)$$ ( B s → μ + μ - ) and BR $$(B^0\rightarrow \mu ^+\mu ^-)$$ ( B 0 → μ + μ - ) taking into account the full two-dimensional non-Gaussian experimental likelihoods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The precision measurement of the muon $g-2$ at Fermilab

The Muon $g-2$ Experiment at Fermilab aims to measure the magnetic anomaly of the muon with the unprecedented precision of 140 parts per billion. In April 2021, the collaboration published the first measurement based on the first year of data collection, which was found to be consistent with the previous experiment at Brookhaven. The new global average of the experimental measurements strengthens the long-standing tension with the data-driven Standard Model prediction to a combined discrepancy of 4.2$\sigma$. On the theory side, however, recent improvements in the theoretical calculation of the hadronic contribution based on Lattice-QCD techniques are introducing new tensions on the value predicted by the theory. The Muon $g-2$ Experiment at Fermilab has now concluded its sixth and final year of data taking and a new result based on the Run-2 and Run-3 data was published in August 2023. This paper briefly describes the precision measurement conducted by the Muon $g-2$ Experiment at Fermilab and its current status.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Experimental and Phenomenological Investigations of the MiniBooNE Anomaly

This thesis covers a range of experimental and theoretical efforts to elucidate the origin of the $4.8\sigma$ MiniBooNE low energy excess (LEE). We begin with the follow-up MicroBooNE experiment, which took data along the BNB from 2016 to 2021. This thesis specifically presents MicroBooNE's search for $\nu_e$ charged-current quasi-elastic (CCQE) interactions consistent with two-body scattering. The two-body CCQE analysis uses a novel reconstruction process, including a number of deep-learning-based algorithms, to isolate a sample of $\nu_e$ CCQE interaction candidates with $75\%$ purity. The analysis rules out an entirely $\nu_e$-based explanation of the MiniBooNE excess at the $2.4\sigma$ confidence level. We next perform a combined fit of MicroBooNE and MiniBooNE data to the popular $3+1$ model; even after the MicroBooNE results, allowed regions in $\Delta m^2$-$\sin^2 2_{\theta_{\mu e}}$ parameter space exist at the $3\sigma$ confidence level. This thesis also demonstrates that the MicroBooNE data are consistent with a $\overline{\nu}_e$-based explanation of the MiniBooNE LEE at the $<2\sigma$ confidence level. Next, we investigate a phenomenological explanation of the MiniBooNE excess combining the $3+1$ model with a dipole-coupled heavy neutral lepton (HNL). It is shown that a 500 MeV HNL can accommodate the energy and angular distributions of the LEE at the $2\sigma$ confidence level while avoiding stringent constraints derived from MINER$\nu$A elastic scattering data. Finally, we discuss the Coherent CAPTAIN-Mills experiment--a 10-ton light-based liquid argon detector at Los Alamos National Laboratory. The background rejection achieved from a novel Cherenkov-based reconstruction algorithm will enable world-leading sensitivity to a number of beyond-the-Standard Model physics scenarios, including dipole-coupled HNLs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Search for a heavy Higgs boson decaying into a Z boson and another heavy Higgs boson in the $\ell \ell bb$ and $\ell \ell WW$ final states in pp collisions at $\sqrt{s}=13$ $\text {TeV}$ with the ATLAS detector

A search for a heavy neutral Higgs boson, A decaying into a Z boson and another heavy Higgs boson, H, is performed using a data sample corresponding to an integrated luminosity of 139 fb-1 from proton–proton collisions at $\sqrt{s} = 13$ TeV recorded by the ATLAS detector at the LHC. The search considers the Z boson decaying into electrons or muons and the H boson into a pair of b-quarks or W bosons. The mass range considered is 230–800 $\text {GeV}$ for the A boson and 130–700 $\text {GeV}$ for the H boson. The data are in good agreement with the background predicted by the Standard Model, and therefore 95% confidence-level upper limits for $\sigma \times B(A\rightarrow ZH)\times B(H\rightarrow bb \; \text {or} \; H \rightarrow WW)$ are set. The upper limits are in the range 0.0062–0.380 pb for the $H\rightarrow bb$ channel and in the range 0.023–8.9 pb for the $H\rightarrow WW$ channel. An interpretation of the results in the context of two-Higgs-doublet models is also given.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Safe Reinforcement Learning-Based Transient Stability Control for Islanded Microgrids With Topology Reconfiguration

This paper proposes a safe reinforcement learning (RL)-based transient stability emergency control (TSEC) method for islanded microgrids. RL requires extensive interaction with the environment to learn control strategies, hence, a data-driven approach is used as a substitute for time-consuming time-domain simulation calculations. Deep sigma point processes (DSPP), which is a Gaussian process model, is utilized to predict the normal distribution of transient stability of microgrids and to construct a transient stability chance constraint. Reward-constrained policy optimization (RCPO) can simultaneously achieve objective prediction, policy learning, and constraint cost coefficient update across multiple timescales. RCPO interacts with the DSPP-based microgrid environment through a multi-process parallel manner, greatly increasing the training speed. Case studies on a real islanded microgrid demonstrate that the proposed method can efficiently and quickly obtain the optimal emergency control strategy while adhering to all hard constraints.

14 SOLAR ENERGY↗

Forecasting constraints on the high-z IGM thermal state from the Lyman-α forest flux autocorrelation function

ABSTRACT The autocorrelation function of the Lyman-$\alpha$ (Ly $\alpha$) forest flux from high-z quasars probes the small-scale structure of the intergalactic medium (IGM). The thermal state of the IGM, determined by the physics of reionization, sets the small-scale power observed in the Ly $\alpha$ forest. To explore the sensitivity of the autocorrelation function to the IGM’s thermal state, we compute the autocorrelation function from a cosmological hydrodynamical simulation with an instantaneous reionization model and 135 post-processed thermal states. Using mock data sets of 20 quasars, we forecast constraints on $T_0$ and $\gamma$, which characterize the post-processed IGM thermal state, at $5.4 \le z \le 6$. While this model simplifies the IGM’s thermal state, it serves as a key first step in assessing future observational prospects. We also perform an inference test on mocks and re-weight out posterior distributions to guarantee that they exhibit statistically correct behaviour. At $z = 5.4$, we find that an idealized data set constrains $T_0$ to 59 per cent and $\gamma$ to 16 per cent at the 1$\sigma$ equivalent confidence level. To explore more realistic, non-instantaneous reionization scenarios, we analyse four models combining temperature and ultraviolet background (UVB) fluctuations at $z = 5.8$. We find that mock data generated from a model with both temperature and UVB fluctuations can rule out a model with only temperature fluctuations at the $> 1\sigma$ level 73.9 per cent of the time.

Wolfson, Molly↗

DES-Y3 galaxies & ACT DR4 CMB lensing tomography

We present a measurement of the cross-correlation between the \maglim galaxies selected from the Dark Energy Survey (DES) first three years of observations (Y3) and cosmic microwave background (CMB) lensing from the Atacama Cosmology Telescope (ACT) Data Release 4 (DR4), reconstructed over $\sim 436$ $\sqdeg$ of the sky. Our galaxy sample, which covers $\sim 4143$ $\sqdeg$, is divided into six redshift bins spanning the redshift range of $0.20<z<1.05$. We adopt a blinding procedure until passing all consistency and systematics tests. After imposing scale cuts for the cross-power spectrum measurement, we reject the null hypothesis of no correlation at 9.1$\sigma$. We constrain cosmological parameters from a joint analysis of galaxy and CMB lensing-galaxy power spectra considering a flat \LCDM model, marginalized over 23 astrophysical and systematic nuisance parameters. We find the clustering amplitude $S_8\equiv \sigma_8 (\Omega_m/0.3)^{0.5} = 0.75^{+0.04}_{-0.05}$. In addition, we co nstrain the linear growth of cosmic structure as a function of redshift. Our results are consistent with recent DES Y3 analyses and suggest a preference for a lower $S_8$ compared to results from measurements of CMB anisotropies by the \textit{Planck} satellite, although at a mild level ($< 2 \sigma$) of statistical significance.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Muon g-2 Experiment and SM

The anomalous magnetic moment of muon has been used as an indication of physics beyond the Standard Model. Fermilab Muon g-2 experiment has published the most precise measurement of the anomalous magnetic moment of muon with an uncertainty of 460 part-per-billion which showed 4.2 sigma discrepancy between the experiment average and the 2020 g-2 Theory Initiative Standard Model prediction. This talk will show the recent results from the Fermilab Muon g-2 experiment while also briefly cover the status of the Standard Model prediction on calculating the anomalous magnetic moment of muon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Nucleon off-shell structure and the free neutron valence structure from A=3 inclusive electron scattering measurements

Understanding the differences between the distribution of quarks bound in protons and neutrons is key for constraining the mechanisms of SU(6) spin-flavor symmetry breaking in Quantum Chromodynamics (QCD). While vast amounts of proton structure measurements were done, data on the structure of the neutron is much more spars as experiments typically extract the structure of neutrons from measurements of light atomic nuclei using model-dependent corrections for nuclear effects. Recently the MARATHON collaboration performed such an extraction by measuring inclusive deep-inelastic electron-scattering on helium-3 and tritium mirror nuclei where nuclear effects are expected to be similar and thus be suppressed in the helium-3 to tritium ratio. Here we evaluate the model dependence of this extraction by examining a wide range of models including the effect of using instant-form and light-cone nuclear wave functions and several different parameterizations of nucleon modification effects, including those with and without isospin dependence. We find that, while the data cannot differentiate among the different models of nuclear structure and nucleon modification, they consistently prefer a neutron-to-proton structure function ratio of at $x_B \rightarrow 1$ of $\sim 0.4$ with a typical uncertainty ($1\sigma$) of $\sim0.05$ and $\sim0.10$ for isospin-independent and isospin-dependent modification models, respectively. While strongly favoring SU(6) symmetry breaking models based on perturbative QCD and the Schwinger-Dyson equation calculation, the MARATHON data do not completely rule out the scalar di-quark models if an isospin-dependent modification exist.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Detection of supernova magnitude fluctuations induced by large-scale structure

The peculiar velocities of supernovae and their host galaxies are correlated with the large-scale structure of the Universe, and can be used to constrain the growth rate of structure and test the cosmological model. In this work, we measure the correlation statistics of the large-scale structure traced by the Dark Energy Spectroscopic Instrument Bright Galaxy Survey Data Release 1 sample, and magnitude fluctuations of type Ia supernova from the Pantheon+ compilation across redshifts z < 0.1. We find a detection of the cross-correlation signal between galaxies and type Ia supernova magnitudes. Fitting the normalised growth rate of structure f sigma_8 to the auto- and cross-correlation function measurements we find f sigma_8 = 0.384 +0.094 -0.157, which is consistent with the Planck LambdaCDM model prediction, and indicates that the supernova magnitude fluctuations are induced by peculiar velocities. Using a large ensemble of N-body simulations, we validate our methodology, calibrate the covariance of the measurements, and demonstrate that our results are insensitive to supernova selection effects. We highlight the potential of this methodology for measuring the growth rate of structure, and forecast that the next generation of type Ia supernova surveys will improve f sigma_8 constraints by a further order of magnitude.

Nguyen, A. [Swinburne U., Ctr. Astrophys. Supercom↗

Measurement of the Higgs boson production in association with top quarks in multilepton final states in pp collisions at s=13 TeV with the ATLAS detector

A measurement of the associated production of a top-quark pair with the Higgs boson (tt¯H$$ t\overline{t}H $$) in multilepton final states is presented. The analysis is based on a data sample of proton-proton collisions at s=13$$ \sqrt{s}=13 $$ TeV recorded with the ATLAS detector at the CERN Large Hadron Collider and corresponding to an integrated luminosity of 140 fb−1. Six final states defined by the number and flavour of reconstructed charged leptons are combined in a simultaneous likelihood fit to extract the tt¯H$$ t\overline{t}H $$ signal and constrain the most relevant backgrounds. The measured tt¯H$$ t\overline{t}H $$ cross-section normalised to Standard Model (SM) prediction is σtt¯H/σSM=0.63−0.19+0.20$$ {\sigma}_{t\overline{t}H}/{\sigma}^{\mathrm{SM}}=0.{63}_{-0.19}^{+0.20} $$. This result corresponds to an observed (expected) significance of 3.3σ (5.3σ). Additionally, two other fits are used to measure the tt¯H$$ t\overline{t}H $$ cross-section differentially in bins of the Higgs boson transverse momentum in the simplified template cross-section framework, and to extract the associated production cross-section of a single top-quark with the Higgs boson (tH) together with the tt¯H$$ t\overline{t}H $$ one. The CP structure of the top quark-Higgs boson Yukawa coupling is probed through an analysis of tt¯H$$ t\overline{t}H $$ and tH events. The results are compatible with the SM hypothesis, and values of the mixing angle between CP-even and CP-odd top-Higgs Yukawa couplings of |α| > 62° are excluded at 68% confidence level.

Aad, G↗

Observation of $\tau$ lepton pair production in ultraperipheral lead-lead collisions at $\sqrt{s_\mathrm{NN}}$ = 5.02 TeV

We present an observation of photon-photon production of $\tau$ lepton pairs in ultraperipheral lead-lead collisions. The measurement is based on a data sample with an integrated luminosity of 404 $\mu$b$^{-1}$ collected by the CMS experiment at a nucleon-nucleon center-of-mass energy of 5.02 TeV. The $\gamma\gamma$$\to$$\tau^+\tau^-$ process is observed for $\tau\tau$ events with a muon and three charged hadrons in the final state. The measured fiducial cross section is $\sigma(\gamma\gamma$$\to$$\tau^+\tau^-)$ = 4.8 $\pm$ 0.6 (stat) $\pm$ 0.5 (syst) $\mu$b, in agreement with leading-order QED predictions. Using $\sigma(\gamma\gamma$$\to$$\tau^+\tau^-)$, we estimate a model-dependent value of the anomalous magnetic moment of the $\tau$ lepton of $a_\tau$ = 0.001 $^{+0.055}_{-0.089}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Prediction of Performance Variation Caused by Manufacturing Tolerances and Defects in Gas Diffusion Electrodes of Phosphoric Acid (PA)–Doped Polybenzimidazole (PBI)-Based High-Temperature Proton Exchange Membrane Fuel Cells

The automated process of coating catalyst layers on gas diffusion electrodes (GDEs) for high-temperature proton exchange membrane fuel cells results inherently into a number of defects. These defects consist of agglomerates in which the platinum sites cannot be accessed by phosphoric acid and which are the consequence of an inconsistent coating, uncoated regions, scratches, knots, blemishes, folds, or attached fine particles—all ranging from μm to mm size. These electrochemically inactive spots cause a reduction of the effective catalyst area per unit volume (cm2/cm3) and determine a drop in fuel cell performance. A computational fluid dynamics (CFD) model is presented that predicts performance variation caused by manufacturing tolerances and defects of the GDE and which enables the creation of a six-sigma product specification for Advent phosphoric acid (PA)-doped polybenzimidazole (PBI)-based membrane electrode assemblies (MEAs). The model was used to predict the total volume of defects that would cause a 10% drop in performance. It was found that a 10% performance drop at the nominal operating regime would be caused by uniformly distributed defects totaling 39% of the catalyst layer volume (~0.5 defects/μm2). The study provides an upper bound for the estimation of the impact of the defect location on performance drop. It was found that the impact on the local current density is higher when the defect is located closer to the interface with the membrane. The local current density decays less than 2% in the presence of an isolated defect, regardless of its location along the active area of the catalyst layer.

Gurau, Vladimir (ORCID:0000000327429061)↗

Unitary Bethe-Salpeter Methods in Two- and Three-Body Systems

The study of resonances, unstable particles formed in particle scattering, is motivated by the questions about the strong interaction and the composition of hadrons. In order to advance this study in the intermediate energy region, a variety of techniques are used. In this thesis, we present work done on two different analyses that use the principle of unitarity and the Bethe-Salpeter equation to study the resonances Lambda(1405), Sigma(1385), and a1(1260). Firstly, we perform a simultaneous analysis of Sand P-waves of the Strangeness = -1 two-body meson-baryon scattering amplitude using all low-energy data. For the first time, differential cross section data are included for chiral unitary coupled-channel models. From this model, S- and P-wave amplitudes are extracted and we observe both well-known I(JP)=0(1/2^-) S-wave states as well as a new I(JP)=1(1/2^+) state absent in quark models and lattice QCD results. Multiple statistical and phenomenological tests suggest that, while the data clearly require an I =1 P-wave resonance, the new state just accounts for the absence of the decuplet Sigma(1385)3/2+ in the model which is subsequently included in the parameterization. Secondly, we formulate the final state interaction of the a1(1260) resonance decay in a manifestly three-body-unitary parameterization and fit it to the a1(1260) lineshape measured by the ALEPH experiment. Dalitz plots calculated from this fit are presented. The work demonstrates the feasibility to numerically solve a previously derived amplitude and its generalization to isobars with spin and coupled channels. The model is a good test case because it can also be applied to other meson decays including exotic states and modified for the finite-volume problem as it arises in lattice QCD due to its manifest unitarity. The understanding of the resonances being analyzed in both the two-body work and the three-body work gives a better understanding of intermediate energy QCD.

Sadasivan, Daniel↗

Accurate Machine Learning for Predicting the Viscosities of Deep Eutectic Solvents

Deep eutectic solvents (DESs) are emerging as environmentally friendly designer solvents for mass transport and heat transfer processes in industrial applications; however, the lack of accurate tools to predict and thus control their viscosities under both a range of environmental factors and formulations hinders their general application. While DESs may serve as designer solvents, with nearly unlimited combinations, this unfortunately makes it experimentally infeasible to comprehensively measure the viscosities of all DESs of potential industrial interest. To assist in the design of DESs, we have developed several new machine learning (ML) models that accurately and rapidly predict the viscosities of a diverse group of DESs at different temperatures and molar ratios using, to date, one of the most comprehensive data sets containing the properties of over 670 DESs over a wide range of temperatures (278.15–385.25 K). Three ML models, including support vector regression (SVR), feed forward neural networks (FFNNs), and categorical boosting (CatBoost), were developed to predict DES viscosity as a function of temperature and molar ratio and contrasted with multilinear and two-factor polynomial regression baselines. Further, quantum chemistry-based, COSMO-RS-derived sigma profile (σ-profile) features were used as inputs for the ML models. The CatBoost model is excellent at externally predicting DES viscosity, as indicated by high R 2 (0.99) and low root-mean-square-error (RMSE) and average absolute relative deviations (AARD) (5.22%) values for the testing data sets, and 98% of the data points lie within the 15% of AARD deviations. Furthermore, SHapley additive explanation (SHAP) analysis was employed to interpret the ML results and rationalize the viscosity predictions. The result is an ML approach that accurately predicts viscosity and will aid in accelerating the design of appropriate DESs for industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Relativistic non-thermal particle acceleration in two-dimensional collisionless magnetic reconnection

Magnetic reconnection, especially in the relativistic regime, provides an efficient mechanism for accelerating relativistic particles and thus offers an attractive physical explanation for non-thermal high-energy emission from various astrophysical sources. I present a simple analytical model that elucidates key physical processes responsible for reconnection-driven relativistic non-thermal particle acceleration in the large-system, plasmoid-dominated regime in two dimensions. The model aims to explain the numerically observed dependencies of the power-law index $p$ and high-energy cutoff $\gamma _c$ of the resulting non-thermal particle energy spectrum $f(\gamma )$ on the ambient plasma magnetization $\sigma$ , and (for $\gamma _c$ ) on the system size $L$ . In this self-similar model, energetic particles are continuously accelerated by the out-of-plane reconnection electric field $E_{\rm rec}$ until they become magnetized by the reconnected magnetic field and eventually trapped in plasmoids large enough to confine them. The model also includes diffusive Fermi acceleration by particle bouncing off rapidly moving plasmoids. I argue that the balance between electric acceleration and magnetization controls the power-law index, while trapping in plasmoids governs the cutoff, thus tying the particle energy spectrum to the plasmoid distribution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗