Energy Variance Research Articles

Wavelet Applied to the Classification of Bacterial Genomes

HIGHLIGHTS Advancement of analyzes using the wavelet technique applied to genome data. Analyze the entire genome, that is, there is no loss of information. It represents a more detailed technique in which energy (variance) is used.

Theory of the Energy Variance in a Quantum Bit

Theory of the Energy Variance in a Quantum Bit

Spin and spin–orbit coupling effects in nickel-based superalloys: A first-principles study on Ni3Al doped with Ta/W/Re

Heavy elements (X = Ta/W/Re) play an important role in the performance of superalloys, which enhance the strength, anti-oxidation, creep resistance, and anti-corrosiveness of alloy materials in a high-temperature environment. In the present research, the heavy element doping effects in FCC-Ni(γ) and Ni3Al(γ′) systems are investigated in terms of their thermodynamic and mechanical properties, as well as electronic structures. The lattice constant, bulk modulus, elastic constant, and dopant formation energy in non-spin, spin polarized, and spin–orbit coupling (SOC) calculations are compared. The results show that the SOC effects are important in accurate electronic structure calculations for alloys with heavy elements. We find that including spin for both γ and γ′ phases is necessary and sufficient for most cases, but the dopant formation energy is sensitive to different spin effects, for instance, in the absence of SOC, even spin-polarized calculations give 1% to 9% variance in the dopant formation energy in our model. Electronic structures calculations indicate that spin polarization causes a split in the metal d states, and SOC introduces a variance in the spin-up and spin-down states of the d states of heavy metals and reduces the magnetic moment of the system.

Effect of Nutritional Variance of Energy and Crude Protein on Sex Ratio and Development of W-36 Parent Offspring

Effect of Nutritional Variance of Energy and Crude Protein on Sex Ratio and Development of W-36 Parent Offspring

Ground-state properties of light 4n self-conjugate nuclei in ab initio no-core Monte Carlo shell model calculations with nonlocal NN interactions

We report $J^\pi = 0^+$ ground-state energies and point-proton radii of $^4$He, $^8$Be, $^{12}$C, $^{16}$O and $^{20}$Ne nuclei calculated by the $ab$ $initio$ no-core Monte Carlo shell model with the JISP16 and Daejeon16 nonlocal $NN$ interactions. Ground-state energies are obtained in the basis spaces up to seven oscillator shells ($N_{\rm shell} = 7$) with several oscillator energies ($\hbar \omega$) around the optimal oscillator energy for the convergence of ground-state energies. These energy eigenvalues are extrapolated to obtain estimates of converged ground state energies in each basis space using energy variances of computed energy eigenvalues. We further extrapolate these energy-variance-extrapolated energies obtained in the finite basis spaces to infinite basis-space results with an empirical exponential form. This form features a dependence on the basis-space size but is independent of the value of $\hbar\omega$ used for the harmonic-oscillator basis functions. Point-proton radii for these states of atomic nuclei are also calculated following techniques employed for the energies. From these results, it is found that the Daejeon16 $NN$ interaction provides good agreement with experimental data up to approximately $^{16}$O, while the JISP16 $NN$ interaction provides good agreement with experimental data up to approximately $^{12}$C. Beyond these nuclei, the interactions produce overbinding accompanied by radii that are too small. These findings suggest and encourage further revisions of nonlocal $NN$ interactions towards the investigation of nuclear structure in heavier-mass regions.

Displacement Transformations as a Tool to Study Many-Body Localization

We obtain eigenstates of interacting disorder Hamiltonians using unitary displacement transformations that rotate the state of the system. The method generates excited states if the strength of these transformations is chosen to optimize the energy, while decreasing the energy variance. We apply the method to analyse the localization properties of one-dimensional spinless fermions with short range interactions, reaching relatively large system sizes. We quantify the degree of localization through the size and disorder dependence of the inverse participation ratio.

Lamb wave damage severity estimation using ensemble-based machine learning method with separate model network

Lamb wave-based damage estimation have great potential for structural health monitoring. However, designing a generalizable model that predicts accurate and reliable damage quantification result is still a practice challenge due to complex behavior of waves with different damage severities. In the recent years, machine learning (ML) algorithms have been proven to be an efficient tool to analyze damage-modulated Lamb wave signals. In this study, ensemble-based ML algorithms are employed to develop a generalizable crack quantification model for thin metallic plates. For this, the scattering of Lamb wave signals due to different configuration of crack dimension and orientation is extensively studied. Various finite element simulations signals, representing distinct crack severities in term of crack length, penetration and orientation are acquired. Realizing that both temporal and spectral information of signal is extremely important to damage quantification, three time-frequency (TF) based damage sensitive indices namely energy concentration, TF flux and coefficient of energy variance are proposed. These damage features are extracted by employing smoothed-pseudo Wigner–Ville distribution. After that data augmentation technique based on the spline-based interpolation is applied to enhance the size of the dataset. Eventually, these fully developed damage dataset is deployed to train ensemble-based models. Here we propose separate model network, in which different models are trained and then link together to predict new and unseen datasets. The performance of the proposed model is demonstrated by two cases: first simulated data incorporated with high artificial noises are employed to test the model and in the second scenario, experimental data in raw form are used. Results indicate that the proposed model has the potential to develop a general model that yields reliable answer for crack quantification.

Suicide cases in developed and emerging countries: an analysis using wavelets

ABSTRACT Objective The aim of this study was to use a wavelet technique to determine whether the number of suicides is similar between developed and emerging countries. Methods Annual data were obtained from World Health Organization (WHO) reports from 1986 to 2015. Discrete nondecimated wavelet transform was used for the analysis, and the Daubechies wavelet function was applied with five-level decomposition. Regarding clustering, energy (variance) was used to analyze the clusters and visualize the clustering process. We constructed a dendrogram using the Mahalanobis distance. The number of groups was set using a specific function in the R program. Results The cluster analysis verified the formation of four groups as follows: Japan, the United States and Brazil were distinct and isolated groups, and other countries (Austria, Belgium, Chile, Israel, Mexico, Italy and the Netherlands) constituted a single group. Conclusion The methods utilized in this paper enabled a detailed verification of countries with similar behaviors despite very distinct socioeconomic, geographic and climate characteristics.

Cloud‐Radiation Interactions and Their Contributions to Convective Self‐Aggregation

AbstractThis study investigates the direct radiative‐convective processes that drive and maintain aggregation within convection‐permitting elongated channel (and smaller square) simulations of the UK Met Office Unified Model. Our simulations are configured using three fixed sea surface temperatures (SSTs) following the Radiative‐Convective Equilibrium Model Intercomparison Project (RCEMIP) protocol. By defining cloud types based on the profile of condensed water, we study the importance of radiative interactions with each cloud type to aggregation. We eliminate the SST dependence of the vertically integrated frozen moist static energy (FMSE) variance budget framework by normalizing FMSE between hypothetical upper and lower limits based on SST. The elongated channel simulations reach similar degrees of aggregation across SSTs, despite shortwave and longwave interactions with FMSE contributing less to aggregation as SST increases. High‐cloud longwave interactions are the main drivers and maintainers of aggregation. Their influence decreases with SST as high clouds become less abundant. This SST dependence is consistent with changes in grid spacing and the critical humidity threshold for condensation (RHcrit). However, the domain‐mean longwave‐FMSE feedback would likely decrease as grid spacing and RHcrit are reduced by lowering the condensed water path and cloud top height of high‐cloud, and altering the distribution of different cloud types. Shortwave interactions with water vapor are key maintainers of aggregation and are dependent on SST and the degree of aggregation itself. The analysis method used provides a new framework to compare the effects of radiative‐convective processes on self‐aggregation across different SSTs and model configurations to help improve our understanding of self‐aggregation.

Adaptive variational quantum eigensolvers for highly excited states

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore the potential of variational quantum algorithms to approximate such states. We propose an adaptive variational algorithm, adaptive VQE-X, that self-generates a variational ansatz for arbitrary eigenstates of a many-body Hamiltonian $H$ by attempting to minimize the energy variance with respect to $H$. We benchmark the method by applying it to an Ising spin chain with integrable and nonintegrable regimes, where we calculate various quantities of interest, including the total energy, magnetization density, and entanglement entropy. We also compare the performance of adaptive VQE-X to an adaptive variant of the folded-spectrum method. For both methods, we find a strong dependence of the algorithm's performance on the choice of operator pool used for the adaptive construction of the ansatz. In particular, an operator pool including long-range two-body gates accelerates the convergence of both algorithms in the nonintegrable regime. We also study the scaling of the number of variational parameters with system size, finding that an exponentially large number of parameters may be necessary to approximate individual highly excited states. Nevertheless, we argue that these methods lay a foundation for the use of quantum algorithms to study finite-energy-density properties of many-body systems.

Study of charge transfer effect in Surface-Enhanced Raman scattering (SERS) by using Antimony-doped tin oxide (ATO) nanoparticles as substrates with tunable optical band gaps and free charge carrier densities

Surface-enhanced Raman scattering (SERS) has been applied in many fields, but still has the limitation of widespread applications on semiconductor substrates. In this work, a series of antimony-doped tin oxide (ATO) nanoparticles (NPs) have been synthesized by a hydrothermal method and were used as SERS substrates for the first time. Interestingly, a charge transfer (CT) effect was revealed between the probing molecules of 4-mercaptobenzoic acid (4-MBA) and the substrates of ATO NPs, which accounts for the SERS enhancement and shows dependence to the Sb ions doping ratios in ATO NPs. By considering the energy level diagram of the ATO–MBA complexes and the doping theory of semiconductors, this phenomenon is believed to connect to the variance of the optical band gap energy (Eg), which is accompanied with the changes of free charge carrier densities in conduction bands (CBs) of ATO NPs due to different doping contents. The study of the Eg- or free-charge-carrier-density-dependent property of the semiconductor-based SERS provides a new point of view for the development of new semiconductor SERS substrates and also contributes to the SERS CT mechanism.

Comparison of different approaches to derive classical bonded force-field parameters for a transition metal cofactor: a case study for non-heme iron site of ectoine synthase

Computational investigations into the structure and function of metalloenzymes with transition metal cofactors require proper preparation of the model, which requires obtaining reliable force field parameters for the cofactor. Here, we present a test case where several methods were used to derive amber force field parameters for a bonded model of the Fe(II) cofactor of ectoine synthase. Moreover, the spin of the ground state of the cofactor was probed by DFT and post-HF methods, which consistently indicated the quintet state is lowest in energy and well separated from triplet and singlet. The performance of the obtained force field parameter sets, derived for the quintet spin state, was scrutinized and compared taking into account metrics focused on geometric features of the models as well as their energetics. The main conclusion of this study is that Hessian-based methods yield parameters which represent the geometry around the metal ion, but poorly reproduce energy variance with geometrical changes. On the other hand, the energy-based method yields parameters accurately reproducing energy-structure relationships, but with bad performance in geometry optimization. Preliminary tests show that admixing geometrical criteria to energy-based methods may allow to derive parameters with acceptable performance for both energy and geometry.

Noncovalent Interactions by the Quantum Monte Carlo Method: Strong Influence of Isotropic Jastrow Cutoff Radii.

We present a paradigmatic example of a strong effect of Jastrow cutoff radii setup on the accuracy of noncovalent interaction energy differences within one-determinant Slater-Jastrow fixed-node diffusion Monte Carlo (1FNDMC) simulations using isotropic Jastrow terms and effective-core potentials. Analysis of total energies, absolute and relative errors, and local energy variance of energy differences vs the reference results suggests a simple procedure to marginalize the related biases. The presented data showcase improvements in dispersion-bounded systems within such a 1FNDMC method.

Tuning the Lattice Thermal Conductivity in Bismuth Telluride via Cr Alloying

Decreasing thermal conductivity of a thermoelectric material is always a prerequisite for its potential application. Using first-principle calculations, we examine the magnetism induced change in lattice thermal transport in bismuth telluride. The source of magnetic moment, Cr in the doped system, weakly magnetizes the coordinated Te atoms to make the latter's phonon softer than that in the pure compound. Though the transition metal dopants do not participate directly in the heat conduction process, the anharmonicity induced by them favor in reducing the lattice thermal conductivity. Large anharmonicity in $(Bi_{0.67}Cr_{0.33})_2Te_3$ reduces the in-plane room temperature lattice thermal conductivity by $\sim 79\%$. The thermal conductivity, strictly, does not vary monotonically with doping concentration. Even, for any particular doping level, the thermal conductivity is different for different configurations which is related to the internal energy of the system. We found that the internal energy variance of 0.03 $eV$ would reduce the in-plane thermal conductivity of the room temperature lattice by at least 60$\%$ for 50$\%$ doping.

Flux Ropes, Turbulence, and Collisionless Perpendicular Shock Waves: High Plasma Beta Case

Abstract With the onset of solar maximum and the expected increased prevalence of interplanetary shock waves, Parker Solar Probe is likely to observe numerous shocks in the next few years. An outstanding question that has received surprisingly little attention has been how turbulence interacts with collisionless shock waves. Turbulence in the supersonic solar wind is described frequently as a superposition of a majority 2D and a minority slab component. We formulate a collisional perpendicular shock-turbulence transmission problem in a way that enables investigation of the interaction and transmission of quasi-perpendicular fluctuations such as magnetic flux ropes/islands and vortices as well as entropy and acoustic modes in the large plasma beta regime. We focus on the transmission of an upstream spectrum of these modes, finding that the downstream spectral amplitude is typically increased significantly (a factor of 10 or more), and that the upstream spectral index of the inertial range, and indeed the general spectral shape, is unchanged for the downstream magnetic variance, kinetic energy, and density variance. A comparison of the theoretically predicted downstream magnetic variance, kinetic energy, and density variance spectra with those observed at 1, 5, and 84 au by Wind, Ulysses, and Voyager 2 shows excellent agreement. The overall theoretically predicted characteristics of the transmission of turbulence across shocks observed in the solar wind appear to be largely consistent with recent observational studies by Pitňa et al. and Borovsky.

Coherent state superpositions, entanglement, and gauge/gravity correspondence

We focus on two types of coherent states, the coherent states of multi-graviton states and the coherent states of giant graviton states, in the context of gauge/gravity correspondence. We conveniently use a phase shift operator and its actions on the superpositions of these coherent states. We find N-state Schrödinger cat states, which approach the one-row Young tableau states, with fidelity between them asymptotically reaching 1 at large N. The quantum Fisher information of these states is proportional to the variance of the excitation energy of the underlying states and characterizes the localizability of the states in the angular direction in the phase space. We analyze the correlation and entanglement between gravitational degrees of freedom using different regions of the phase space plane in bubbling AdS. The correlation between two entangled rings in the phase space plane is related to the area of the annulus between the two rings. We also analyze two types of noisy coherent states, which can be viewed as interpolated states that interpolate between a pure coherent state in the noiseless limit and a maximally mixed state in the large noise limit.

Multilayer shallow-water model with stratification and shear

The purpose of this paper is to present a shallow-water-type model with multiple inhomogeneous layers featuring variable linear velocity vertical shear and startificaion in horizontal space and time. This is achieved by writing the layer velocity and buoyancy fields as linear functions of depth, with coefficients that depend arbitrarily on horizontal position and time. The model is a generalization of Ripa's (1995) single-layer model to an arbitrary number of layers. Unlike models with homogeneous layers the present model is able to represent thermodynamics processes driven by heat and freshwater fluxes through the surface or mixing processes resulting from fluid exchanges across contiguous layers. By contrast with inhomogeneous-layer models with depth-independent velocity and buoyancy, the model derived here can sustain explicitly at low frequency a current in thermal wind balance (between the vertical vertical shear and the horizontal density gradient) within each layer. In the absence of external forcing and dissipation, energy, volume, mass, and buoyancy variance constrain the dynamics; conservation of total zonal momentum requires in addition the usual zonal symmetry of the topography and horizontal domain. The inviscid, unforced model admits a formulation suggestive of a generalized Hamiltonian structure, which enables the classical connection between symmetries and conservation laws via Noether's theorem. A steady solution to a system involving one Ripa-like layer and otherwise homogeneous layers can be proved formally (or Arnold) stable using the above invariants. A model configuration with only one layer has been shown previously to provide: a very good representation of the exact vertical normal modes up to the first internal mode; an exact representation of long-perturbation (free boundary) baroclinic instability; and a very reasonable representation of short-perturbation (classical Eady) baroclinic instability. Here it is shown that substantially more accurate overall results with respect to single-layer calculations can be achieved by considering a stack of only a few layers. A similar behavior is found in ageostrophic (classical Stone) baroclinic instability by describing accurately the dependence of the solutions on the Richardson number with only two layers.

The Overlapping Grid Spectral Collocation Method for Solving Entropy Generation in Casson Nanofluid Flow Past a Stretching Plate

The current study investigates the intrinsic irreversibility phenomenon of a mixed convection and electrically conducting couple stress Casson fluid motion over a thermally stretching sheet. We have considered the combined effect of applied magnetic field, Brownian motion, thermal radiation, permeability, Casson parameter, and the stretching parameter on the entropy generation rate of the model. The first and second laws of thermodynamics have been applied to examine the flow problem. The obtained dimensionless structure of highly nonlinear ordinary differential equations is then solved numerically applying the overlapping grid spectral collocation method. This method has high accuracy and converges fast. The approximate solutions for velocity, temperature and concentration are used to evaluate the rate of entropy generation and some physical parameters of the flow. For engineering interest, we have obtained tabular results for the skin friction coefficient, Nusselt number, and the Sherwood number for pertinent parameters. We found that entropy generation rate is minimized when there is an increase in the applied magnetic field, thermophoresis parameter, Casson parameter, Brownian motion, and the energy variance parameter. Further, the entropy generation rate is increased by enhancing the stretching parameter, permeability parameter, the Biot number, and thermal radiation parameter.

Electric vehicle routing problem with machine learning for energy prediction

Routing electric commercial vehicles requires taking into account their limited driving range, which is affected by several uncertain factors such as traffic conditions. This paper presents the time-dependent Electric Vehicle Routing Problem with Chance-Constraints (EVRP-CC) and partial recharging. The routing method is divided into two stages, where the first finds the best paths and the second optimizes the routes. A probabilistic Bayesian machine learning approach is proposed for predicting the expected energy consumption and variance for the road links, paths and routes. Hence it is possible to consider the uncertainty in energy demand by planning charging within a confidence interval. The energy estimation is validated with data from electric buses driving a public transport route in Gothenburg-Sweden as well as with realistic simulations for 24 hours traffic in the city of Luxembourg connected to a high fidelity vehicle model. Routing solutions are compared with a deterministic formulation of the problem similar to the ones found in the literature. The results indicate high accuracy for the energy prediction as well as energy savings and more reliability for the routes.

Non-adiabatic Response and Counterdiabatic Driving of Coherent States

Quantum state preparation has drawn great attention to physical community. In order to solve this challenge, the protocol of counterdiabatic driving was put forward. In this paper, the idea was applied to two important models, Coherent states and Spin coherent states, which had played important roles in the development of quantum optic and atomic physics. If their parameters vary slowly, the evolution can be studied by the adiabatic perturbation theory. Furthermore, their non-adiabatic response are investigated respectively. Specifically, we build the relationship between the generalized force and Berry curvature of coherent states and spin coherent states. And the leading corrections to energy are also been researched, which lead to the mass and moment of inertia renormalization respectively. In addition, we also calculate the broadening of the energy distribution (energy variance), which determined by the metric tensor. Finally, in order to suppress transition and speed up the evolution, the counterdiabatic Hamiltonians are designed, which would have potential use in the field of quantum manipulation.