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All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SUPERMODEL ANALYSIS OF A1246 AND J255: ON THE EVOLUTION OF GALAXY CLUSTERS FROM HIGH TO LOW ENTROPY STATES

We present an analysis of high-quality X-ray data out to the virial radius for the two galaxy clusters A1246 and GMBCG J255.34805+64.23661 (J255) by means of our entropy-based SuperModel. For A1246 we find that the spherically averaged entropy profile of the intracluster medium (ICM) progressively flattens outward, and that a nonthermal pressure component amounting to ≈20% of the total is required to support hydrostatic equilibrium in the outskirts; there we also estimate a modest value C ≈ 1.6 of the ICM clumping factor. These findings agree with previous analyses on other cool-core, relaxed clusters, and lend further support to the picture by Lapi et al. that relates the entropy flattening, the development of the nonthermal pressure component, and the azimuthal variation of ICM properties to weakening boundary shocks. In this scenario clusters are born in a high-entropy state throughout, and are expected to develop on similar timescales a low-entropy state both at the center due to cooling, and in the outskirts due to weakening shocks. However, the analysis of J255 testifies how such a typical evolutionary course can be interrupted or even reversed by merging especially at intermediate redshift, as predicted by Cavaliere et al. In fact, a merger has rejuvenated the ICM of this cluster at z ≈ 0.45 by reestablishing a high-entropy state in the outskirts, while leaving intact or erasing only partially the low-entropy, cool core at the center.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Time evolution of temperature and entropy of various collapsing domain walls

We investigate the time evolution of the temperature and entropy of gravitationally collapsing shells of matter, represented by domain walls, as seen by an asymptotic observer. In particular, we seek to understand how topology and the addition of a cosmological constant affect the gravitational collapse. Previous work has shown that the entropy of a spherically symmetric collapsing domain approaches a constant. In this paper, we reproduce these results, using both a fully quantum and a semi-classical approach, then we repeat the process for a de Sitter Schwarzschild domain wall (spherical with cosmological constant) and a (3+1) BTZ domain wall (cylindrical). We do this by coupling a scalar field to the background of the domain wall and analyzing the spectrum of radiation as a function of time. We find that the spectrum is quasi-thermal, with the degree of thermality increasing as the domain wall approaches the horizon. The thermal distribution allows for the determination of the temperature as a function of time, and we find that the late time temperature is consistent with the Hawking temperature. From the temperature we find the entropy. Since the collapsing domain wall is what forms a black hole, we can compare the results to those of the standard entropy-area relation. We find that the entropy does in fact approach a constant that is consistent with the Hawking entropy. However, both the de Sitter Schwarzschild domain wall and the (3+1) BTZ domain wall show periods of decreasing entropy, which suggests that spontaneous collapse may be prevented.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

ENTROPY AT THE OUTSKIRTS OF GALAXY CLUSTERS AS IMPLICATIONS FOR COSMOLOGICAL COSMIC-RAY ACCELERATION

Recently, gas entropy at the outskirts of galaxy clusters has attracted much attention. We propose that the entropy profiles could be used to study cosmic-ray (CR) acceleration around the clusters. If the CRs are effectively accelerated at the formation of clusters, the kinetic energy of infalling gas is consumed by the acceleration and the gas entropy should decrease. As a result, the entropy profiles become flat at the outskirts. If the acceleration is not efficient, the entropy should continue to increase outward. By comparing model predictions with X-ray observations with Suzaku, which show flat entropy profiles, we find that the CRs have carried {approx}< 7% of the kinetic energy of the gas away from the clusters. Moreover, the CR pressure at the outskirts can be {approx}< 40% of the total pressure. On the other hand, if the entropy profiles are not flat at the outskirts, as indicated by combined Plank and ROSAT observations, the carried energy and the CR pressure should be much smaller than the above estimations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

The Dependence of Cluster Galaxy Properties on the Central Entropy of Their Host Cluster

We present a study of the connection between brightest cluster galaxies (BCGs) and their host galaxy clusters. Using galaxy clusters at 0.1<z<0.3 from the Hectospec Cluster Survey (HeCS) with X-ray information from the Archive of Chandra Cluster Entropy Profile Tables (ACCEPT), we confirm that BCGs in low central entropy clusters are well aligned with the X-ray center. Additionally, the magnitude difference between BCG and the second brightest galaxy also correlates with the central entropy of the intracluster medium. From the red-sequence (RS) galaxies, we cannot find significant dependence of RS color scatter and stellar population on the central entropy of the intracluster medium of their host cluster. However, BCGs in low-entropy clusters are systematically less massive than those in high-entropy clusters, although this is dependent on the method used to derive the stellar mass of BCGs. In contrast, the stellar velocity dispersion of BCGs shows no dependence on BCG activity and cluster central entropy. This implies that the potential of the BCG is established earlier and the activity leading to optical emission lines is dictated by the properties of the intracluster medium in the cluster core.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Data-driven, structure-preserving approximations to entropy-based moment closures for kinetic equations

In this study, we present a data-driven approach for approximating entropy-based closures of moment systems from kinetic equations. The proposed closure learns the entropy function by fitting the map between the moments and the entropy of the moment system, and thus does not depend on the spacetime discretization of the moment system or specific problem configurations such as initial and boundary conditions. With convex and C 2 approximations, this data-driven closure inherits several structural properties from entropy-based closures, such as entropy dissipation, hyperbolicity, and H-Theorem. We construct convex approximations to the Maxwell–Boltzmann entropy using convex splines and neural networks, test them on the plane source benchmark problem for linear transport in slab geometry, and compare the results to the standard, entropy-based systems which solve a convex optimization problem to find the closure. Numerical results indicate that these data-driven closures provide accurate solutions in much less computation time than that required by the optimization routine.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

The Holographic Entropy Arrangement

Here, we develop a convenient framework for characterizing multipartite entanglement in composite systems, based on relations between entropies of various subsystems. This continues the program initiated in [1], of using holography to effectively recast the geometric problem into an algebraic one. We prove that, for an arbitrary number of parties, our procedure identifies a finite set of entropic information quantities that we conveniently represent geometrically in the form of an arrangement of hyperplanes. This leads us to define the holographic entropy arrangement, whose algebraic and combinatorial aspects we explore in detail. Using the framework, we derive three new information quantities for four parties, as well as a new infinite family for any number of parties. A natural construct from the arrangement is the holographic entropy polyhedron which captures holographic entropy inequalities describing the physically allowed region of entropy space. We illustrate how to obtain the polyhedron by winnowing down the arrangement through a sieve to pick out candidate sign-definite information quantities. Comparing the polyhedron with the holographic entropy cone, we find perfect agreement for 4 parties and corroborating evidence for the conjectured 5-party entropy cone. Lastly, we work with explicit configurations in arbitrary (time-dependent) states leading to both simple derivations and an intuitive picture of the entanglement pattern.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Exploring the holographic entropy cone via reinforcement learning

We develop a reinforcement learning algorithm to study the holographic entropy cone. Given a target entropy vector, our algorithm searches for a graph realization whose min-cut entropies match the target vector. If the target vector does not admit such a graph realization, it must lie outside the cone, in which case the algorithm finds a graph whose corresponding entropy vector most nearly approximates the target and allows us to probe the location of the facets. For the N = 3 cone, we confirm that our algorithm successfully rediscovers monogamy of mutual information beginning with a target vector outside the holographic entropy cone. We then apply the algorithm to the N = 6 cone, analyzing the 6 mystery extreme rays of the subadditivity cone from [1] that satisfy all known holographic entropy inequalities yet lacked graph realizations. We found realizations for 3 of them, proving they are genuine extreme rays of the holographic entropy cone, while providing evidence that the remaining 3 are not realizable, implying unknown holographic inequalities exist for N = 6.

AdS-CFT correspondence↗
DOE OSTI2016

The gravity dual of Rényi entropy

A remarkable yet mysterious property of black holes is that their entropy is proportional to the horizon area. This area law inspired the holographic principle, which was later realized concretely in gauge-gravity duality. In this context, entanglement entropy is given by the area of a minimal surface in a dual spacetime. However, discussions of area laws have been constrained to entanglement entropy, whereas a full understanding of a quantum state requires Re´nyi entropies. Here we show that all Rényi entropies satisfy a similar area law in holographic theories and are given by the areas of dual cosmic branes. This geometric prescription is a one-parameter generalization of the minimal surface prescription for entanglement entropy. Applying this we provide the first holographic calculation of mutual Re´nyi information between two disks of arbitrary dimension. Our results provide a framework for efficiently studying Re´nyi entropies and understanding entanglement structures in strongly coupled systems and quantum gravity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Atomic and electronic basis for the serrations of refractory high-entropy alloys

Refractory high-entropy alloys present attractive mechanical properties, i.e., high yield strength and fracture toughness, making them potential candidates for structural applications. Understandings of atomic and electronic interactions are important to reveal the origins for the formation of high-entropy alloys and their structure-dominated mechanical properties, thus enabling the development of a predictive approach for rapidly designing advanced materials. Here, we report the atomic and electronic basis for the valence-electron-concentration-categorized principles and the observed serration behavior in high-entropy alloys and high-entropy metallic glass, including MoNbTaW, MoNbVW, MoTaVW, HfNbTiZr, and Vitreloy-1 MG (Zr 41 Ti 14 Cu 12.5 Ni 10 Be 22.5 ). We find that the yield strengths of high-entropy alloys and high-entropy metallic glass are a power-law function of the electron-work function, which is dominated by local atomic arrangements. Further, a reliance on the bonding-charge density provides a groundbreaking insight into the nature of loosely bonded spots in materials. The presence of strongly bonded clusters and weakly bonded glue atoms imply a serrated deformation of high-entropy alloys, resulting in intermittent avalanches of defects movement.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Probabilistic and maximum entropy modeling of chemical reaction systems: Characteristics and comparisons to mass action kinetic models

We demonstrate and characterize a first-principles approach to modeling the mass action dynamics of metabolism. Starting from a basic definition of entropy expressed as a multinomial probability density using Boltzmann probabilities with standard chemical potentials, we derive and compare the free energy dissipation and the entropy production rates. We express the relation between entropy production and the chemical master equation for modeling metabolism, which unifies chemical kinetics and chemical thermodynamics. Because prediction uncertainty with respect to parameter variability is frequently a concern with mass action models utilizing rate constants, we compare and contrast the maximum entropy model, which has its own set of rate parameters, to a population of standard mass action models in which the rate constants are randomly chosen. We show that a maximum entropy model is characterized by a high probability of free energy dissipation rate and likewise entropy production rate, relative to other models. We then characterize the variability of the maximum entropy model predictions with respect to uncertainties in parameters (standard free energies of formation) and with respect to ionic strengths typically found in a cell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

The entropy of galaxy spectra: how much information is encoded?

Abstract The inverse problem of extracting the stellar population content of galaxy spectra is analysed here from a basic standpoint based on information theory. By interpreting spectra as probability distribution functions, we find that galaxy spectra have high entropy, thus leading to a rather low effective information content. The highest variation in entropy is unsurprisingly found in regions that have been well studied for decades with the conventional approach. We target a set of six spectral regions that show the highest variation in entropy – the 4000 Å break being the most informative one. As a test case with real data, we measure the entropy of a set of high-quality spectra from the Sloan Digital Sky Survey, and contrast entropy-based results with the traditional method based on line strengths. The data are classified into star-forming (SF), quiescent (Q), and active galactic nucleus (AGN) galaxies, and show – independently of any physical model – that AGN spectra can be interpreted as a transition between SF and Q galaxies, with SF galaxies featuring a more diverse variation in entropy. The high level of entanglement complicates the determination of population parameters in a robust, unbiased way, and affects traditional methods that compare models with observations, as well as machine learning (especially deep learning) algorithms that rely on the statistical properties of the data to assess the variations among spectra. Entropy provides a new avenue to improve population synthesis models so that they give a more faithful representation of real galaxy spectra.

Ferreras, Ignacio (ORCID:0000000345843127)↗
DOE OSTI2024

Quantifying the Entropy and Enthalpy of Insertion Materials for Battery Applications Via the Multi-Species, Multi-Reaction Model

The entropy coefficient of a battery cell is the property that governs the amount of reversible heat that is generated during operation. In this work, we propose an extension of the Multi-Species, Multi-Reaction (MSMR) model to capture the entropy coefficient of a large format lithium-ion battery cell. We utilize the hybridized time-frequency domain analysis (HTFDA) method using a multi-functional calorimeter to probe the entropy coefficient of a large format pouch type lithium-ion battery with a NMC 811 cathode and a graphite anode. The measured entropy coefficient profile of the battery cell is deconvoluted into an entropy coefficient for each active material, which is then estimated using an extension of the MSMR model. Finally, we extend the entropy of a material to individual entropy for each gallery as treated by the model.

Electrochemistry↗
DOE OSTI2024

Should We Conserve Entropy or Energy when Computing CAPE with Mixed-Phase Precipitation Physics?

Abstract The rapidly increasing resolution of global atmospheric reanalysis and climate model datasets necessitates finding methods for computing convective available potential energy (CAPE) both efficiently and accurately. To this end, this article compares two common methods for computing CAPE which conserve either energy or entropy. Inaccuracies in these computations arise from both physical and numerical errors. For instance, computing CAPE with entropy conserved results in physical errors from nonequilibrium phase transitions but minimizes numerical errors because solutions are analytic at each height. In contrast, computing CAPE with energy conserved avoids these physical errors, but accumulates numerical errors that are grid-resolution-dependent because the numerical integration of a differential equation is required. Analysis of CAPE computed with large databases of soundings from the tropical Amazon and midlatitude storm environments shows that physical errors from the entropy method are typically 1%–3% as large as CAPE, which is comparable to the numerical errors from conserving energy with grid spacing of 25 and 250 m using explicit first-order and second-order integration schemes, respectively. Errors in entropy-based CAPE calculations are also insensitive to vertical grid spacing, in contrast to energy-based calculations whose error strongly scales with the grid spacing. It is shown that entropy-based methods are advantageous when intercomparing datasets with differing vertical resolution because they produce accurate and reasonably fast results that are insensitive to grid resolution, whereas a second-order energy-based method is advantageous when analyzing data with a consistent vertical resolution because of its superior computational efficiency. Significance Statement Convective available potential energy (CAPE) is a measure of instability in the atmosphere that helps forecasters and researchers understand when and where thunderstorms will form. The purpose of this article is to identify the most efficient and accurate methods for computing CAPE. Two methods are considered here, one that relates to the entropy (a measure of thermodynamic disorder) of an air parcel and one that relates to the energy of an air parcel. Results indicate that the entropy method is most accurate and insensitive to the resolution of the data used for the calculation (which can vary considerably), whereas the energy method uses the least computation time.

Peters, John M.↗
DOE OSTI2020

The quantum entropy cone of hypergraphs

In this work, we generalize the graph-theoretic techniques used for the holographic entropy cone to study hypergraphs and their analogously-defined entropy cone. This allows us to develop a framework to efficiently compute entropies and prove inequalities satisfied by hypergraphs. In doing so, we discover a class of quantum entropy vectors which reach beyond those of holographic states and obey constraints intimately related to the ones obeyed by stabilizer states and linear ranks. We show that, at least up to 4 parties, the hypergraph cone is identical to the stabilizer entropy cone, thus demonstrating that the hypergraph framework is broadly applicable to the study of entanglement entropy. We conjecture that this equality continues to hold for higher party numbers and report on partial progress on this direction. To physically motivate this conjectured equivalence, we also propose a plausible method inspired by tensor networks to construct a quantum state from a given hypergraph such that their entropy vectors match.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Maximum-entropy probability distributions under Lp-norm constraints

Continuous probability density functions and discrete probability mass functions are tabulated which maximize the differential entropy or absolute entropy, respectively, among all probability distributions with a given L sub p norm (i.e., a given pth absolute moment when p is a finite integer) and unconstrained or constrained value set. Expressions for the maximum entropy are evaluated as functions of the L sub p norm. The most interesting results are obtained and plotted for unconstrained (real valued) continuous random variables and for integer valued discrete random variables. The maximum entropy expressions are obtained in closed form for unconstrained continuous random variables, and in this case there is a simple straight line relationship between the maximum differential entropy and the logarithm of the L sub p norm. Corresponding expressions for arbitrary discrete and constrained continuous random variables are given parametrically; closed form expressions are available only for special cases. However, simpler alternative bounds on the maximum entropy of integer valued discrete random variables are obtained by applying the differential entropy results to continuous random variables which approximate the integer valued random variables in a natural manner. All the results are presented in an integrated framework that includes continuous and discrete random variables, constraints on the permissible value set, and all possible values of p. Understanding such as this is useful in evaluating the performance of data compression schemes.

Dolinar, S.↗
NASA NTRS2011

Entropy Generation Across Earth's Bow Shock

Earth's bow shock is a transition layer that causes an irreversible change in the state of plasma that is stationary in time. Theories predict entropy increases across the bow shock but entropy has never been directly measured. Cluster and Double Star plasma experiments measure 3D plasma distributions upstream and downstream of the bow shock that allow calculation of Boltzmann's entropy function H and his famous H-theorem, dH/dt ~ O. We present the first direct measurements of entropy density changes across Earth's bow shock. We will show that this entropy generation may be part of the processes that produce the non-thermal plasma distributions is consistent with a kinetic entropy flux model derived from the collisionless Boltzmann equation, giving strong support that solar wind's total entropy across the bow shock remains unchanged. As far as we know, our results are not explained by any existing shock models and should be of interests to theorists.

Parks, George K.↗
DOE OSTI2026

From high-entropy ceramics to compositionally complex ceramics and beyond

Over the past decade, the field of high-entropy ceramics (HECs) has expanded rapidly to encompass a broad range of oxides, borides, silicides, and other ceramic solid solutions. In 2020, we proposed extending HECs to compositionally complex ceramics (CCCs), where non-equimolar compositions and the presence of long- or short-range order, although reducing configurational entropy, create new opportunities to tailor and enhance properties, often surpassing those of higher-entropy counterparts. Along these lines, several fundamental scientific questions arise. Is the entropy in HECs truly high? Is maximizing entropy always desirable? In this perspective article, I revisit key concepts and terminologies and highlight emerging directions, including dual-phase CCCs, ultrahigh-entropy phases, and novel processing routes such as ultrafast reactive sintering. I propose that exploring compositional complexity across vast non-equimolar spaces, together with exploiting correlated disorder (coupled chemical and structural short-range order), represents a transformative strategy for designing ceramics with superior performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Deep glassy state dynamic data challenge glass models: Configurational entropy models

This work was the result of the student's (Dongjie Chen) qualifying exam response. In it the experimental observation from our labs that the relaxation times of ultrastable glasses (a 20 million year old amber and a vapor deposited amorphous teflon) do not follow the expected Vogel-Fulcher or WLF types of divergence as the temperatures fall below the glass transition temperature. In the work we evaluated several theories by considering them in different ways. We used them as generally used and show that they do not capture the non-diverging behavior. Because the models were all entropy-based models, we also considered the possibility that the temperature dependence of the entropy used in the models is incorrect and chose two ways of estimating the entropy that do not follow the classical theoretical models. First we used the actually measured calorimetric response for the two ultrastable glasses, and we used the Milchev model, which does not go to zero above 0 Kelvin. Both of these approaches led to improved agreement between the theories and the experimental data. Finally, we also asked what the temperature dependence of the entropy would have to be so that the models agreed with the observed data. In some cases the entropy so-calculated was reasonable, while in others it was unphysical. In sum, the important point of the work is that the observation of non-diverging time-scales that suggest that there is no ideal glass transition can be reasonably captured by current theories if they take more realistic models of the entropy than is usually the case.

36 MATERIALS SCIENCE↗