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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Role of electron pathway in dimensionally increasing water splitting reaction sites in liquid electrolytes

Hydrogen from water splitting is one of the most promising alternatives for fossil fuels in solving the global energy crisis, while its electrochemical reaction mechanism, especially in liquid electrolytes, remains unclear. Herein, how the electrode conductivity affects the reaction sites of oxygen evolution reactions (OERs) in acidic and alkaline solutions was investigated by employing visualization system and electrochemical testing. Inserting Au nanolayers greatly increased electrode conductivities, improved OER kinetics and reduced cell ohmic resistance, leading to excellent water splitting performances in both acidic and alkaline electrolytes. Furthermore, the in-situ visualization results showed more reaction sites and higher catalyst utilizations were achieved by augmenting the electrode conductivity, and reaction sites increased from 1-dimension to 2-dimension. Additionally, it was discovered that electrical conductivities of acidic and alkaline solutions are insufficient to overcome the sharp drop of potential in the electrical double layer for activating OER uniformly on low-conductivity catalysts, indicating the importance of electrical conductivity of the electrode in acidic and alkaline water electrolyzers. This study provided a guidance on how to develop efficient and compact electrodes for acidic and alkaline water electrolyzer stacks and other electrochemical devices, such as fuel cell, N2 reduction, CO 2 conversion, etc.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Proliferation transitions from a topological phase in 2+1 dimensions

We consider phase transitions out of a general topological phase in 2+1 dimensions. We assume that the transition is triggered by a single Abelian anyon, which becomes light near the transition and whose worldlines proliferate after the transition. (This proliferation is often referred to as “condensation.”) We describe the transition using a continuum field theory obtained by coupling the corresponding topological quantum field theory (TQFT) to a single complex scalar field associated with this anyon. With these assumptions, we find the most general relativistic field theory for such a transition. Even though for a given TQFT and a choice of anyon, there are infinitely many such field theories, the transition theory depends on only a single additional integer parameter. We analyze all these theories, their global symmetries, and their phases. In generic cases, the theory after the transition can be related to the original one via an Abelian hierarchy construction. In special cases, the theory after the transition is gapless, and with a particular deformation, it is related to the original TQFT by gauging an anomaly-free one-form global symmetry. We also explore the enrichment of this setup by a global U⁡(1) symmetry. In some cases, enriching the original TQFT is incompatible with the full transition theory. Lastly, we demonstrate our construction with many specific examples.

Anyons↗
DOE OSTI2020

Asymptotic Behavior of Cosmologies with $$\Lambda >0$$ in $$2+1$$ Dimensions

We study, using mean curvature flow methods, 2+1 dimensional cosmologies with a positive cosmological constant and matter satisfying the dominant and the strong energy conditions. If the spatial slices are compact with non-positive Euler characteristic and are initially expanding everywhere, then we prove that the spatial slices reach infinite volume, asymptotically converge on average to de Sitter and they become, almost everywhere, physically indistinguishable from de Sitter. This holds true notwithstanding the presence of initial arbitrarily-large density fluctuations and the formation of black holes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Exact β-function of Yang-Mills theory in 2+1 dimensions

To set the stage, I discuss the β-function of the massless O(N) model in three dimensions, which can be calculated exactly in the large N limit. Then, I consider SU(N) Yang-Mills theory in 2+1 space-time dimensions. Relating the β -function to the expectation value of the action in lattice gauge theory, and the latter to the trace of the energy-momentum tensor, Is how that $ \frac{d\ln {g}^2/\mu }{d\ln \mu }=-1 $ for all g and all N in one particular renormalization scheme. As a consequence, I find that the Yang-Mills β -function in three dimensions must have the same sign for all finite and positive bare coupling parameters in any renormalization scheme, and all non-trivial infrared fixed points are unreachable in practice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Nonperturbative constraints from symmetry and chirality on Majorana zero modes and defect quantum numbers in (2+1) dimensions

In (1+1)D topological phases, unpaired Majorana zero modes (MZMs) can arise only if the internal symmetry group G f of the ground state splits as G f = G b × $Z^f_2$, where $Z^f_2$ is generated by fermion parity, (–1) F . In contrast, (2+1)-dimensional [(2+1)D] topological superconductors (TSC) can host unpaired MZMs at defects even when G f is not of the form G b × $Z^f_2$. In this paper we study how G f together with the chiral central charge c – strongly constrain the existence of unpaired MZMs and the quantum numbers of symmetry defects. Our results utilize a recent algebraic characterization of (2+1)D invertible fermionic topological states, which provides a non-perturbative approach based on topological quantum field theory, beyond free fermions. We study physically relevant groups such as U(1) f $\rtimes$ H, SU (2) f × H, U(2) f $\rtimes$ H, generic Abelian groups, as well as more general compact Lie groups, antiunitary symmetries and crystalline symmetries. Further, we present an algebraic formula for the fermionic crystalline equivalence principle, which gives an equivalence between states with crystalline and internal symmetries. In light of our theory, we discuss several previously proposed realizations of unpaired MZMs in TSC materials such as Sr 2 RuO 4 , transition metal dichalcogenides and iron superconductors, in which crystalline symmetries are often important; in some cases we present additional predictions for the properties of these models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

A multi-phase-field model of topological pattern formation during electrochemical dealloying of binary alloys

Porous metal structures produced by electrochemical dealloying have been extensively studied for use in various applications that require high surface areas. A new comprehensive multi-phase-field (MPF) model is proposed to study topological porous patterns formed by spontaneously etching a bulk binary alloy that involves electrochemical reactions, bulk and surface diffusion, ion transport, applied electrode potential, and charge conservation. The governing equations for the alloy-porous cluster-electrolyte system account for a generalized Butler-Volmer electrochemical reaction and are in accordance with the classical nucleation theory. Based on a quantitative examination of the effects of electrode potential and precursor composition, the simulation results reproduce typical phenomena including passive surface dealloying, active porosity evolution, critical potential, and characteristic length scale in two-dimension (2-D) and three-dimension (3-D). To consider more complicated dealloying systems, the evolutions of a bimodal porous metal structure, nanocomposite, and nested porous network with a structured hierarchy are investigated. Finally, the proposed model can be a useful tool for understanding and predicting the morphology evolution of diverse porous structures during electrochemical dealloying.

Hierarchical porous structure↗
DOE OSTI2024

Holography and Regge phases with U(1) charge

Abstract We use holography to study the large spinJlimit of the spectrum of low energy states with chargeQunder a U(1) conserved current in CFTs ind> 2 dimensions, with a focus ond= 3 andd= 4. ForQ= 2, the spectrum of such states is known to be universal and properly captured by the long-distance limit of holographic theories, regardless of whether the CFT itself is holographic. We study in detail the holographic description of such states atQ> 2, by considering the contribution to the energies ofQscalar particles coming from single photon and graviton exchange in the bulk of AdS; in some cases, scalar exchange and bulk contact terms are also included. For a range of finite values ofQandJ, we numerically diagonalize the Hamiltonian for such states and examine the resulting spectrum and wavefunctions as a function of the dimension ∆ of the charge-one operator and the central charges$$ {c}_{\mathcal{T}} $$ c T ,$$ {c}_{\mathcal{J}} $$ c J of the stress tensor and U(1) current, finding multiple regions in parameter space with qualitatively different behavior. We discuss the extension of these results to the regime of parametrically large chargeQ, as well as to what extent such results are expected to hold universally, beyond the limit of holographic CFTs. We compare our holographic computations to results from the conformal bootstrap for the 3dO(2) model atQ= 3 andQ= 4 and find excellent agreement.

Physics↗
DOE OSTI2020

Massive celestial fermions

In an effort to further the study of amplitudes in the celestial CFT (CCFT), we construct conformal primary wavefunctions for massive fermions. Upon explicitly calculating the wavefunctions for Dirac fermions, we deduce the corresponding transformation of momentum space amplitudes to celestial amplitudes. The shadow wavefunctions are shown to have opposite spin and conformal dimension 2 - Δ. The Dirac conformal primary wave- functions are delta function normalizable with respect to the Dirac inner product provided they lie on the principal series with conformal dimension Δ = 1 + iλ for λ ∈ $\mathbb{R}$. It is shown that there are two choices of a complete basis: single spin J=$\frac{1}{2}$ or J=-$\frac{1}{2}$ and λ ∈ $\mathbb{R}$ or multiple spin J=±$\frac{1}{2}$ and λ $\mathbb{R}$ +∪0 . The massless limit of the Dirac conformal primary wavefunctions is shown to agree with previous literature. The momentum generators on the celestial sphere are derived and, along with the Lorentz generators, form a representation of the Poincaré algebra. Finally, we show that the massive spin-1 conformal primary wavefunctions can be constructed from the Dirac conformal primary wavefunctions using the standard Clebsch-Gordan coefficients. We use this procedure to write the massive spin-$\frac{3}{2}$, Rarita-Schwinger, conformal primary wavefunctions. This provides a prescription for constructing all massive fermionic and bosonic conformal primary wavefunctions starting from spin-$\frac{1}{2}$.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Generalized entropy of gravitational fluctuations

The corrections to holographic entanglement entropy from bulk quantum fields in a classical gravitational background are now well understood. They lead, in particular, to unitary Page curves for evaporating black holes. However, the correct treatment of quantum fluctuations of the metric, including graviton excitations, is a longstanding problem. We provide a gauge-invariant prescription for the generalized entropy of gravitons in anti-de Sitter space in terms of areas and bulk entanglement entropy, generalizing the quantum extremal surface prescription to accommodate fluctuations in the semiclassical spacetime geometry. This task requires a careful treatment of the area operator on the graviton Hilbert space and the definition of a “quantum extremal gauge” in which the extremal surface is unperturbed. It also requires us to determine the correct vacuum modular Hamiltonian for the graviton field, which we fix by requiring that it doesn’t contain a boundary term in extremal gauge. We check our prescription with an explicit computation of the vacuum-subtracted generalized entropy of states containing a graviton in an AdS-Rindler background. Our results exactly match vacuum-subtracted von Neumann entropies for stress-tensor excited states in holographic conformal field theory with d > 2 dimensions. We also use covariant phase space techniques to give a partial proof of our prescription when the entanglement wedge for the background spacetime has a bifurcate Killing horizon. Along the way, we identify a class of perturbative graviton states that have parametrically larger generalized entropy, in the small G N expansion, than any low-energy excitations of an ordinary quantum field.

1/N expansion↗
DOE OSTI2020

Effective entropy of quantum fields coupled with gravity

Entanglement entropy, or von Neumann entropy, quantifies the amount of uncertainty of a quantum state. For quantum fields in curved space, entanglement entropy of the quantum field theory degrees of freedom is well-defined for a fixed background geometry. In this paper, we propose a generalization of the quantum field theory entanglement entropy by including dynamical gravity. The generalized quantity named effective entropy, and its Renyi entropy generalizations, are defined by analytic continuation of a replica calculation. The replicated theory is defined as a gravitational path integral with multiple copies of the original boundary conditions, with a co-dimension-2 brane at the boundary of region we are studying. We discuss different approaches to define the region in a gauge invariant way, and show that the effective entropy satisfies the quantum extremal surface formula. When the quantum fields carry a significant amount of entanglement, the quantum extremal surface can have a topology transition, after which an entanglement island region appears. Our result generalizes the Hubeny-Rangamani-Takayanagi formula of holographic entropy (with quantum corrections) to general geometries without asymptotic AdS boundary, and provides a more solid framework for addressing problems such as the Page curve of evaporating black holes in asymptotic flat spacetime. We apply the formula to two example systems, a closed two-dimensional universe and a four-dimensional maximally extended Schwarzchild black hole. We discuss the analog of the effective entropy in random tensor network models, which provides more concrete understanding of quantum information properties in general dynamical geometries. We show that, in absence of a large boundary like in AdS space case, it is essential to introduce ancilla that couples to the original system, in order for correctly characterizing quantum states and correlation functions in the random tensor network. Using the superdensity operator formalism, we study the system with ancilla and show how quantum information in the entanglement island can be reconstructed in a state-dependent and observer-dependent map. We study the closed universe (without spatial boundary) case and discuss how it is related to open universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Power quality disturbances diagnosis: A 2D densely connected convolutional network framework

The fast and accurate diagnosis of power quality disturbances (PQD) aids in avoiding shutdowns and unnecessary procedures, concerning electric energy distribution systems. As such, a number of techniques have been tested and applied in order to reach this objective. Majority of the techniques applied are two-step based. On the first step, power quality disturbances features are extracted. Second step, considering features extracted, disturbance classification is implemented. Recently, relevant literature has presented data-driven signal processing-based approaches, as deep convolutional neural networks (DCNN), which can implement both processing steps while providing automated recognition of patterns and outliers in data. However, not considered by state-of-art, power quality disturbances are evolving in nature, while all possible regularities might not be represented in the dataset. In this work a 2 Dimension Densely Connected Convolutional Network (2D-DenseNet) framework is presented. Further, a case study with synthetic disturbance events are analyzed. Easy-to-implement formulation, built on the 2D-DenseNet, without hard-to-design parameters, highlight potential aspects for real-life implementation.

42 ENGINEERING↗
DOE OSTI2020

Structural and Thermoelectric Properties of Black Arsenic–Phosphorus

Here, we report the structural and temperature dependent transport properties of As x P 1-x (x = 0, 0.2, 0.5, 0.83, 1) alloys. It is observed that black phosphorous (BP)-related phonon modes in the alloy samples are red-shifted with increasing arsenic concentration, while black arsenic-related modes in these samples are blue-shifted with increasing phosphorus concertation. As the arsenic concentration, x increases from 0 to 1, the 4-probe resistance of the As x P 1-x alloys is found to decrease by more than 3 orders of magnitude. The transport studies reveal that samples with the highest arsenic concentration (x = 1 and 0.83) show metallic behavior in the temperature dependence of resistance with a small thermopower at room temperature with an anomalous temperature dependence. In contrast, the samples with high phosphorus concentration (x = 0, 0.2, and 0.5) show very large thermopower values at room temperature reaching a value as high as 803 μV/k for x = 0.2. The temperature dependence of the thermopower of these samples can be well described by the variable range hopping (VRH) mechanism in two-dimensions (2-d), S ~ T 1/3 . Similarly, their 4-probe resistance (R) values can be fitted with 2-d VRH mechanism, R ~ exp(T -1/3 ).

36 MATERIALS SCIENCE↗
DOE OSTI2023

A Polarization Tensor for Neutron Optics

A rank 2 dimension 3 tensor formulation for polarized neutron transport in a magnetic field is derived. Using this formulation, the rotating magnetic field problem is revisited to produce a single 3 × 3 vector-transformation matrix that describes the polarization transport. That result is then used to fashion a new strategy for a numerical approximation of polarization transport in an arbitrary magnetic field using time-dependent perturbation theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A statistical mechanism for operator growth

It was recently conjectured that in generic quantum many-body systems, the spectral density of local operators has the slowest high-frequency decay as permitted by locality. We show that the infinite-temperature version of this ‘universal operator growth hypothesis’ holds for the quantum Ising spin model in d ≥ 2 dimensions, and for the chaotic Ising chain (with longitudinal and transverse fields) in one dimension. Moreover, the disordered chaotic Ising chain that exhibits many-body localization can have the same high-frequency spectral density asymptotics as thermalizing models. Our argument is statistical in nature, and is based on the observation that the moments of the spectral density can be written as a sign-problem-free sum over paths of Pauli string operators.

Physics↗
DOE OSTI2024

Algorithm 1049: The Delaunay Density Diagnostic

Accurate approximation of a real-valued function depends on two aspects of the available data: the density of inputs within the domain of interest and the variation of the outputs over that domain. There are few methods for assessing whether the density of inputs is sufficient to identify the relevant variations in outputs—i.e., the “geometric scale” of the function—despite the fact that sampling density is closely tied to the success or failure of an approximation method. In this article, we introduce a general purpose, computational approach to detecting the geometric scale of real-valued functions over a fixed domain using a deterministic interpolation technique from computational geometry. The algorithm is intended to work on scalar data in moderate dimensions (2–10). Our algorithm is based on the observation that a sequence of piecewise linear interpolants will converge to a continuous function at a quadratic rate (in L 2 norm) if and only if the data are sampled densely enough to distinguish the feature from noise (assuming sufficiently regular sampling). We present numerical experiments demonstrating how our method can identify feature scale, estimate uncertainty in feature scale, and assess the sampling density for fixed (i.e., static) datasets of input–output pairs. Finally, we include analytical results in support of our numerical findings and have released lightweight code that can be adapted for use in a variety of data science settings.

97 MATHEMATICS AND COMPUTING↗