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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Origins of life: a comparison of theories and application to Mars

The field of study that deals with the origins of life does not have a consensus for a theory of life's origin. An analysis of the range of theories offered shows that they share some common features that may be reliable predictors when considering the possible origins of life on another planet. The fundamental datum dealing with the origins of life is that life appeared early in the history of the Earth, probably before 3.5 Ga and possibly before 3.8 Ga. What might be called the standard theory (the Oparin-Haldane theory) posits the production of organic molecules on the early Earth followed by chemical reactions that produced increased organic complexity leading eventually to organic life capable of reproduction, mutation, and selection using organic material as nutrients. A distinct class of other theories (panspermia theories) suggests that life was carried to Earth from elsewhere--these theories receive some support from recent work on planetary impact processes. Other alternatives to the standard model suggest that life arose as an inorganic (clay) form and/or that the initial energy source was not organic material but chemical energy or sunlight. We find that the entire range of current theories suggests that liquid water is the quintessential environmental criterion for both the origin and sustenance of life. It is therefore of interest that during the time that life appeared on Earth we have evidence for liquid water present on the surface of Mars.

Review, Academic↗
NASA NTRS2005

Advanced Small Perturbation Potential Flow Theory for Unsteady Aerodynamic and Aeroelastic Analyses

An advanced small perturbation (ASP) potential flow theory has been developed to improve upon the classical transonic small perturbation (TSP) theories that have been used in various computer codes. These computer codes are typically used for unsteady aerodynamic and aeroelastic analyses in the nonlinear transonic flight regime. The codes exploit the simplicity of stationary Cartesian meshes with the movement or deformation of the configuration under consideration incorporated into the solution algorithm through a planar surface boundary condition. The new ASP theory was developed methodically by first determining the essential elements required to produce full-potential-like solutions with a small perturbation approach on the requisite Cartesian grid. This level of accuracy required a higher-order streamwise mass flux and a mass conserving surface boundary condition. The ASP theory was further developed by determining the essential elements required to produce results that agreed well with Euler solutions. This level of accuracy required mass conserving entropy and vorticity effects, and second-order terms in the trailing wake boundary condition. Finally, an integral boundary layer procedure, applicable to both attached and shock-induced separated flows, was incorporated for viscous effects. The resulting ASP potential flow theory, including entropy, vorticity, and viscous effects, is shown to be mathematically more appropriate and computationally more accurate than the classical TSP theories. The formulaic details of the ASP theory are described fully and the improvements are demonstrated through careful comparisons with accepted alternative results and experimental data. The new theory has been used as the basis for a new computer code called ASP3D (Advanced Small Perturbation - 3D), which also is briefly described with representative results.

Batina, John T.↗
NASA NTRS2022

Advancing Theory and Modeling Efforts in Heliophysics

Heliophysics theory and modeling build understanding from fundamental principles to motivate, interpret, and predict observations. Together with observational analysis, they constitute a comprehensive scientific program in heliophysics. As observations and data analysis become increasingly detailed, it is critical that theory and modeling develop more quantitative predictions and iterate with observations. Advanced theory and modeling can inspire and greatly improve the design of new instruments and increase their chance of success. In addition, in order to build physics based space weather forecast models, it is important to keep developing and testing new theories, and maintaining constant communications with theory and modeling. Maintaining a sustainable effort in theory and modeling is critically important to heliophysics. We recommend that all funding agencies join forces and consider expanding current and creating new theory and modeling programs–especially, 1. NASA should restore the HTMS program to its original support level to meet the critical needs of heliophysics science; 2. a Strategic Research Model program needs to be created to support model development for next-generation basic research codes; 3. new programs must be created for addressing mission-critical theory and modeling needs; and 4. enhanced programs are urgently required for training the next generation of theorists and modelers.

Fan Guo↗
DOE OSTI2020

Interfaces and the extended Hilbert space of Chern-Simons theory

The low energy effective field theories of (2 + 1) dimensional topological phases of matter provide powerful avenues for investigating entanglement in their ground states. In [1] the entanglement between distinct Abelian topological phases was investigated through Abelian Chern-Simons theories equipped with a set of topological boundary conditions (TBCs). In the present paper we extend the notion of a TBC to non-Abelian Chern-Simons theories, providing an effective description for a class of gapped interfaces across non-Abelian topological phases. These boundary conditions furnish a defining relation for the extended Hilbert space of the quantum theory and allow the calculation of entanglement directly in the gauge theory. Because we allow for trivial interfaces, this includes a generic construction of the extended Hilbert space in any (compact) Chern-Simons theory quantized on a Riemann surface. Additionally, this provides a constructive and principled definition for the Hilbert space of effective ground states of gapped phases of matter glued along gapped interfaces. Lastly, we describe a generalized notion of surgery, adding a powerful tool from topological field theory to the gapped interface toolbox.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

3d TQFTs from Argyres–Douglas theories

We construct a new class of three-dimensional topological quantum field theories (3d TQFTs) by considering generalized Argyres–Douglas theories on S 1 × M 3 with a non-trivial holonomy of a discrete global symmetry along the S 1 . For the minimal choice of the holonomy, the resulting 3d TQFTs are non-unitary and semisimple, thus distinguishing themselves from theories of Chern–Simons and Rozansky–Witten types respectively. Changing the holonomy performs a Galois transformation on the TQFT, which can sometimes give rise to more familiar unitary theories such as the ${\left({G}_{2}\right)}_{1}$ and ${\left({F}_{4}\right)}_{1}$ Chern–Simons theories. Our construction is based on an intriguing relation between topologically twisted partition functions, wild Hitchin characters, and chiral algebras which, when combined together, relate Coulomb branch and Higgs branch data of the same 4d $\mathcal{N}=2$ theory. Finally, we test our proposal by applying localization techniques to the conjectural $\mathcal{N}=1$ UV Lagrangian descriptions of the (A 1 , A 2 ), (A 1 , A 3 ) and (A 1 , D 3 ) theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Orders of vanishing and U(1) charges in F-theory

Many interesting questions about F-theory models, including several concerning the F-theory swampland, involve massless matter charged under U(1) gauge symmetries. It is therefore important to better understand the geometric properties of F-theory models realizing various U(1) charges. We propose that, for F-theory models described by elliptic fibrations in Weierstrass form, the U(1) charge of light matter is encoded in the orders of vanishing of the section components corresponding to the U(1) gauge symmetry. We give specific equations relating the U(1) charges to the orders of vanishing that seem to hold for both U(1)-charged singlets and for matter additionally charged under a simply-laced nonabelian gauge algebra. Our formulas correctly describe properties of F-theory models in the prior literature, and we give an argument that they should describe the orders of vanishing for arbitrarily high U(1) charges. They also resemble formulas for the p-adic valuations of elliptic divisibility sequences developed by Stange. These proposals could serve as a U(1) analogue of the Katz-Vafa method, allowing one to determine U(1) charges without resolution. Additionally, they predict geometric information about F-theory models with general U(1) charges, which may be useful for exploring the F-theory landscape and swampland.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Exceptional scalar theories in de Sitter space

The special galileon and Dirac-Born-Infeld (DBI) theories are effective field theories of a single scalar field that have many interesting properties in flat space. These theories can be extended to all maximally symmetric spaces, where their algebras of shift symmetries are simple. We study aspects of the curved space versions of these theories: for the special galileon, we find a new compact expression for its Lagrangian in de Sitter space and a field redefinition that relates it to the previous, more complicated formulation. This field redefinition reduces to the well-studied galileon duality redefinition in the flat space limit. For the DBI theory in de Sitter space, we discuss the brane and dilaton formulations of the theory and present strong evidence that these are related by a field redefinition. We also give an interpretation of the symmetries of these theories in terms of broken diffeomorphisms of de Sitter space.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Machine learning and serving of discrete field theories

A method for machine learning and serving of discrete field theories in physics is developed. The learning algorithm trains a discrete field theory from a set of observational data on a spacetime lattice, and the serving algorithm uses the learned discrete field theory to predict new observations of the field for new boundary and initial conditions. The approach of learning discrete field theories overcomes the difficulties associated with learning continuous theories by artificial intelligence. The serving algorithm of discrete field theories belongs to the family of structure-preserving geometric algorithms, which have been proven to be superior to the conventional algorithms based on discretization of differential equations. The effectiveness of the method and algorithms developed is demonstrated using the examples of nonlinear oscillations and the Kepler problem. In particular, the learning algorithm learns a discrete field theory from a set of data of planetary orbits similar to what Kepler inherited from Tycho Brahe in 1601, and the serving algorithm correctly predicts other planetary orbits, including parabolic and hyperbolic escaping orbits, of the solar system without learning or knowing Newton’s laws of motion and universal gravitation. The proposed algorithms are expected to be applicable when the effects of special relativity and general relativity are important.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1996

The Orbital Motion of the Martian Satellites: An Application of Artificial Satellite Theory

This paper describes our extended Sinclair-Morley analytical theory for the Martian Satellites. The theory's foundation is the artificial satellite theory of Brouwer. In the paper, we outline the original theory, present our modifications and additional terms, and compare the theory with numerical integration. We also provide a comparison with one of the competing dynamical Martian satellite theories, namely the ESAPHO/ESADE theory of Chapornt-Touzé.

Sinclair-Morley↗
DOE OSTI2021

2-Group global symmetries and anomalies in six-dimensional quantum field theories

We examine six-dimensional quantum field theories through the lens of higher-form global symmetries. Every Yang-Mills gauge theory in six dimensions, with field strength ƒ (2) , naturally gives rise to a continuous 1-form global symmetry associated with the 2-form instanton current J (2) ~ * Tr (ƒ (2) $\wedge$ ƒ (2) ). We show that suitable mixed anomalies involving the gauge field ƒ (2) and ordinary 0-form global symmetries, such as flavor or Poincaré symmetries, lead to continuous 2-group global symmetries, which allow two flavor currents or two stress tensors to fuse into the 2-form current J (2) . We discuss several features of 2-group symmetry in six dimensions, many of which parallel the four-dimensional case. The majority of six-dimensional supersymmetric conformal field theories (SCFTs) and little string theories have infrared phases with non-abelian gauge fields. We show that the mixed anomalies leading to 2-group symmetries can be present in little string theories, but that they are necessarily absent in SCFTs. This allows us to establish a previously conjectured algorithm for computing the ’t Hooft anomalies of most SCFTs from the spectrum of weakly-coupled massless particles on the tensor branch of these theories. We then apply this understanding to prove that the a -type Weyl anomaly of all SCFTs with a tensor branch must be positive, a > 0.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Fibers add flavor. Part II. 5d SCFTs, gauge theories, and dualities

In [1, 2] we proposed an approach based on graphs to characterize 5d superconformal field theories (SCFTs), which arise as compactifications of 6d $$ \mathcal{N} $$ N = (1 , 0) SCFTs. The graphs, so-called combined fiber diagrams (CFDs), are derived using the realization of 5d SCFTs via M-theory on a non-compact Calabi-Yau threefold with a canonical singularity. In this paper we complement this geometric approach by connecting the CFD of an SCFT to its weakly coupled gauge theory or quiver descriptions and demonstrate that the CFD as recovered from the gauge theory approach is consistent with that as determined by geometry. To each quiver description we also associate a graph, and the embedding of this graph into the CFD that is associated to an SCFT provides a systematic way to enumerate all possible consistent weakly coupled gauge theory descriptions of this SCFT. Furthermore, different embeddings of gauge theory graphs into a fixed CFD can give rise to new UV-dualities for which we provide evidence through an analysis of the prepotential, and which, for some examples, we substantiate by constructing the M-theory geometry in which the dual quiver descriptions are manifest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

BPS Wilson loop in $\mathcal{N}$ = 2 superconformal SU(N) “orientifold” gauge theory and weak-strong coupling interpolation

We consider the expectation value \( \left\langle \mathcal{W}\right\rangle \) of the circular BPS Wilson loop in \( \mathcal{N} \) = 2 superconformal SU( N ) gauge theory containing a vector multiplet coupled to two hypermultiplets in rank-2 symmetric and antisymmetric representations. This theory admits a regular large N expansion, is planar-equivalent to \( \mathcal{N} \) = 4 SYM theory and is expected to be dual to a certain orbifold/orientifold projection of AdS 5 × S 5 superstring theory. On the string theory side \( \left\langle \mathcal{W}\right\rangle \) is represented by the path integral expanded near the same AdS 2 minimal surface as in the maximally supersymmetric case. Following the string theory argument in [5], we suggest that as in the \( \mathcal{N} \) = 4 SYM case and in the \( \mathcal{N} \) = 2 SU( N ) × SU( N ) superconformal quiver theory discussed in [19], the coefficient of the leading non-planar 1/ N 2 correction in \( \left\langle \mathcal{W}\right\rangle \) should have the universal λ 3/2 scaling at large ’t Hooft coupling. We confirm this prediction by starting with the localization matrix model representation for \( \left\langle \mathcal{W}\right\rangle \) . We complement the analytic derivation of the λ 3/2 scaling by a numerical high-precision resummation and extrapolation of the weak-coupling expansion using conformal mapping improved Padé analysis.

1/N Expansion↗
DOE OSTI2020

Comparison of continuum and cross-core theories of dynamic strain aging

Dynamic strain aging (DSA) is the process of solute atoms segregating around dislocations on the timescale of loading. Continuum theories of DSA derived from elasticity theory have been shown to severely overpredict both the timescale and strengthening of DSA. Recently, cross-core theory was developed to reconcile this gap, invoking a special single-atomic-hop diffusion mechanism across the core of an extended dislocation. In this work, we show that the classical continuum theory expression for the rate of solute segregation is in error. After correcting this error, we show that continuum theory predictions match cross-core theory when the elevated diffusivity near the dislocation core is accounted for. Finally, our findings indicate that continuum theory is still a useful tool for studying dislocation-solute interactions.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Nuclear–Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime

Hydrogen transfer is a critical component of many chemical and biological processes. The ratio of rate constants for hydrogen and deuterium transfer defines the H/D kinetic isotope effect (KIE), which is a powerful tool for elucidating hydrogen transfer mechanisms. Interpretation of experimental H/D KIEs relies on accurate and affordable computational methods. However, due to their light mass, hydrogen and deuterium can undergo tunneling, which is challenging to describe in multidimensional molecular systems. Herein, we introduce the nuclear–electronic orbital general rate theory (NEO-GRT), which enables the efficient prediction of H/D KIEs based on full-dimensional molecular quantum chemistry calculations. The NEO-GRT approach describes the hydrogen transfer rate constant with a general expression that spans the vibrationally adiabatic and nonadiabatic hydrogen tunneling regimes. The input quantities are computed using NEO density functional theory, which treats the transferring hydrogen or deuterium nucleus quantum mechanically on the same level as the electrons. We investigate two intramolecular proton transfer reactions in organic molecules at temperatures down to 50 K to evaluate the performance of NEO-GRT by comparison to transition state theory and ring-polymer instanton theory. The KIEs computed with NEO-GRT agree with those calculated using ring-polymer instanton theory for the full-dimensional molecular systems at the same level of electronic structure theory. This agreement indicates that NEO-GRT captures the deep hydrogen tunneling effects, in contrast to transition state theory, which neglects such effects. Given its relatively low computational cost, NEO-GRT is a promising approach for predicting H/D KIEs in large organic and organometallic systems.

Hydrogen↗
DOE OSTI2020

Thermodynamics–Structure–Dynamics Correlations and Nonuniversal Effects in the Elastically Collective Activated Hopping Theory of Glass-Forming Liquids

We employ the microscopic Elastically Collective Nonlinear Langevin Equation (ECNLE) theory of activated dynamics in combination with crystal-avoiding simulations to study four inter-related questions for metastable monodisperse hard sphere fluids. The first is how significantly improved integral equation theory structural input (Modified-Verlet (MV) closure) changes the dynamical predictions of ECNLE theory. The main consequence is a modest enhancement of the importance of the collective elastic barrier relative to its local cage contribution, which increases the alpha relaxation time and fragility relative to prior results based on the Percus–Yevick closure. Second, ECNLE-MV theory predictions for the alpha time and self-diffusion constant in the metastable regime are quantitatively compared to our new simulations. The small adjustment of a numerical prefactor that enters the collective elastic barrier leads to quantitative agreement over three decades. Third, using the more accurate MV structural input, ECNLE theory is shown to predict thermodynamics–structure–dynamics “correlations” based on various long and short wavelength scalar properties all related to static two-point collective density fluctuations. The logarithm of the alpha relaxation time scales as a power law with these scalar metrics with an exponent that is significantly lower in the less dense noncooperative activated regime compared to the very dense highly cooperative regime. However, the discovered correlation of activated relaxation with a thermodynamic property (dimensionless compressibility) is not causal in ECNLE theory, but rather reflects a strong connection between the local structural quantities that quantify kinetic constraints in the theory with the amplitude of long wavelength density fluctuations. Fourth, the consequences of chemically specific nonuniversalities associated with the onset condition and relative importance of collective elasticity are studied. In conclusion, the predicted thermodynamics–structure–dynamics correlations are found to be robust, albeit with nontrivial shifts of the onset condition.

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

IR side of bounds on theories with spontaneously broken Lorentz symmetry

In nature, some UV features of dynamics are reflected in IR quantities. In fully relativistic theories, this connection can be probed through the analyticity properties of scattering amplitudes, allowing one to understand which IR theories respect the UV assumptions of quantum field theory. The ensuing analyticity bounds can usually be rephrased as the absence of faster-than-light propagation for low-energy excitations. While it is interesting to understand these relations and their IR characterization for theories that have less idealized properties, it is also more difficult to derive analyticity bounds in these cases. For theories that spontaneously break Lorentz symmetry, recent progress was made by considering correlators of conserved currents and their analyticity properties. In this work, we focus on such theories and work to close the gap from the IR side, finding a natural way to express the known analyticity bounds purely in terms of low-energy kinematical quantities. Our analysis shows that the bounds require gapped excitations to have a slower speed than the gapless ones, at least for momenta that are low with respect to the mass gap. These results suggest a way to interpret the UV/IR connection in more complex theories.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Cosmological dynamics of string theory axion strings

The quantum chromodynamics (QCD) axion may solve the strong CP problem and explain the dark matter (DM) abundance of our Universe. The axion was originally proposed to arise as the pseudo-Nambu-Goldstone boson of global U⁢(1) PQ Peccei-Quinn (PQ) symmetry breaking, but axions also arise generically in string theory as zero modes of higher-dimensional gauge fields. In this work we show that string theory axions behave fundamentally differently from field theory axions in the early Universe. Field theory axions may form axion strings if the PQ phase transition takes place after inflation. In contrast, we show that string theory axions do not generically form axion strings. In special inflationary paradigms, such as D-brane inflation, string theory axion strings may form; however, their tension is parametrically larger than that of field theory axion strings. We then show that such QCD axion strings overproduce the DM abundance for all allowed QCD axion masses and are thus ruled out, except in scenarios with large warping. A loop-hole to this conclusion arises in the axiverse, where an axion string could be composed of multiple different axion mass eigenstates; a heavier eigenstate could collapse the network earlier, allowing for the QCD axion to produce the correct DM abundance and also generating observable gravitational wave signals.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Anomaly inflow, dualities, and quantum simulation of Abelian lattice gauge theories induced by measurements

Previous work [] has demonstrated that quantum simulation of Abelian lattice gauge theories (Wegner models including the toric code in a limit) in general dimensions can be achieved by local adaptive measurements on symmetry-protected topological (SPT) states with higher-form generalized global symmetries. The entanglement structure of the resource SPT state reflects the geometric structure of the gauge theory. In this work we explicitly demonstrate the anomaly inflow mechanism between the deconfining phase of the simulated gauge theory on the boundary and the SPT state in the bulk by showing that the anomalous gauge variation of the boundary state obtained by bulk measurement matches that of the bulk theory. Moreover, we construct the resource state and the measurement pattern for the measurement-based quantum simulation of a lattice gauge theory with a matter field (Fradkin-Shenker model), where a simple scheme to protect gauge invariance of the simulated state against errors is proposed. We further consider taking an overlap between the wave function of the resource state for lattice gauge theories and that of a parameterized product state, and we derive precise dualities between partition functions with insertion of defects corresponding to gauging higher-form global symmetries, as well as measurement-induced phases where states induced by a partial overlap possess different (symmetry-protected) topological orders. Measurement-assisted operators to dualize quantum Hamiltonians of lattice gauge theories and their noninvertibility are also presented. Published by the American Physical Society 2024

Okuda, Takuya↗