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All sourcesNASA NTRSDOE OSTI
NASA NTRS2017

NASA GSFC Report on CCSDS Recommendations 2.1.8A B Minimum Earth Station Transmitter Frequency Resolution for Spacecraft Receiver Acquisition

In Fall 2016, ESA presented paper SLS-RFM 16-10 documenting a possible issue with the frequency lock-in range specification in Recommendation 2.1.8A of typically 267 to 1067 Hz in considerings (b) from considerings (a) for loop bandwidths [2B(sub LO)] in the range of 200 to 800 Hz with a recommendation of 100 Hz step size for frequency sweeping. The paper calculated the lock-in range to be (+/-)266 to (+/-)1064 rad/s or (+/-)42 to (+/-)168 Hz. Also, Recommendation 2.1.8B has the same issue for considering (a) and (b), i.e. for 2B(sub LO) =10 Hz, a lock-in range of 13 Hz was specified and a recommendation of 5 Hz step size for frequency sweeping. ESA also provided test results from the Rosetta and Exomars transponders. The results were somewhat inconsistent since the tests to verify lock-in and pull-in range did not include acquisition time, which is vital to the definition of these performance measures. This paper will address these test results below. However, we first examine the rationale for Recommendation 2.1.8A/B and its consistency with the theory of 2nd order phase lock loop operations. Our approach is to design a digital phase locked loop (DPLL) from phase locked loop (PLL) requirements. All analysis will be performed with a DPLL.

digital phase locked loop↗
DOE OSTI2018

The scalar and electromagnetic form factors of the nucleon in dispersively improved Chiral EFT

We present a method for calculating the nucleon form factors of G-parity-even operators. This method combines chiral effective field theory (χEFT) and dispersion theory. Through unitarity we factorize the imaginary part of the form factors into a perturbative part, calculable with χEFT, and a non-perturbative part, obtained through other methods. We consider the scalar and electromagnetic (EM) form factors of the nucleon. The results show an important improvement compared to standard chiral calculations, and can be used in analysis of the low-energy properties of the nucleon.

Alarcon, Jose Manuel↗
DOE OSTI2021

Microscopic mechanism of unusual lattice thermal transport in TlInTe 2

We investigate the microscopic mechanism of ultralow lattice thermal conductivity (κ l ) of TlInTe 2 and its weak temperature dependence using a unified theory of lattice heat transport, that considers contributions arising from the particle-like propagation as well as wave-like tunneling of phonons. While we use the Peierls–Boltzmann transport equation (PBTE) to calculate the particle-like contributions (κ l (PBTE)), we explicitly calculate the off-diagonal (OD) components of the heat-flux operator within a first-principles density functional theory framework to determine the contributions (κ l (OD)) arising from the wave-like tunneling of phonons. At each temperature, T, we anharmonically renormalize the phonon frequencies using the self-consistent phonon theory including quartic anharmonicity, and utilize them to calculate κ l (PBTE) and κ l (OD). With the combined inclusion of κ l (PBTE), κ l (OD), and additional grain-boundary scatterings, our calculations successfully reproduce the experimental results. Our analysis shows that large quartic anharmonicity of TlInTe 2 (a) strongly hardens the low-energy phonon branches, (b) diminishes the three-phonon scattering processes at finite T, and (c) recovers the weaker than T –1 decay of the measured κ l .

36 MATERIALS SCIENCE↗
DOE OSTI2015

Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics

We derive a coarse-grained description of the dynamics of a nanoparticle immersed in an isothermal simple fluid by performing a systematic coarse graining of the underlying microscopic dynamics. As coarse-grained or relevant variables, we select the position of the nanoparticle and the total mass and momentum density field of the fluid, which are locally conserved slow variables because they are defined to include the contribution of the nanoparticle. The theory of coarse graining based on the Zwanzing projection operator leads us to a system of stochastic ordinary differential equations that are closed in the relevant variables. We demonstrate that our discrete coarse-grained equations are consistent with a Petrov-Galerkin finite-element discretization of a system of formal stochastic partial differential equations which resemble previously used phenomenological models based on fluctuating hydrodynamics. Key to this connection between our “bottom-up” and previous “top-down” approaches is the use of the same dual orthogonal set of linear basis functions familiar from finite element methods (FEMs), both as a way to coarse-grain the microscopic degrees of freedom and as a way to discretize the equations of fluctuating hydrodynamics. Another key ingredient is the use of a “linear for spiky” weak approximation which replaces microscopic “fields” with a linear FE interpolant inside expectation values. For the irreversible or dissipative dynamics, we approximate the constrained Green-Kubo expressions for the dissipation coefficients with their equilibrium averages. Under suitable approximations, we obtain closed approximations of the coarse-grained dynamics in a manner which gives them a clear physical interpretation and provides explicit microscopic expressions for all of the coefficients appearing in the closure. Our work leads to a model for dilute nanocolloidal suspensions that can be simulated effectively using feasibly short molecular dynamics simulations as input to a FEM fluctuating hydrodynamic solver.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Conformal perturbation theory, dimensional regularization, and AdS/CFT correspondence

We study relevant deformations of conformal field theory on a cylinder using conformal perturbation theory, and in particular the one-point function of the deformation operator and the energy in a system after a quench. We do the one-point function calculation in both AdS and the conformal field theory and we show that the results match. Our calculations are done with arbitrary spacetime dimension, as well as arbitrary scaling dimension of the relevant operator. The only singularities that appear in the end calculation can be related to logarithmic singularities in dimensional regularization. We also study time-dependent setups in the field theory and we show how the response of the system can be calculated in a Hamiltonian-based approach. Here, we use this procedure to explain certain short time universal results that have been found previously.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Fermionic Glauber operators and quark reggeization

We derive, in the framework of soft-collinear effective field theory (SCET), a Lagrangian describing the t-channel exchange of Glauber quarks in the Regge limit. The Glauber quarks are not dynamical, but are incorporated through non-local fermionic potential operators. These operators are power suppressed in |t|/s relative to those describing Glauber gluon exchange, but give the first non-vanishing contributions in the Regge limit to processes such as $q\overline{q}$→ $gg$ and $q\overline{q}$→$γγ$. They therefore represent an interesting subset of power corrections to study. The structure of the operators, which describe certain soft and collinear emissions to all orders through Wilson lines, is derived from the symmetries of the effective theory combined with constraints from power and mass dimension counting, as well as through explicit matching calculations. Lightcone singularities in the fermionic potentials are regulated using a rapidity regulator, whose corresponding renormalization group evolution gives rise to the Reggeization of the quark at the amplitude level and the BFKL equation at the cross section level. We verify this at one-loop, deriving the Regge trajectory of the quark in the 3 color channel, as well as the leading logarithmic BFKL equation. Results in the $\overline{6}$ and 15 color channels are obtained by the simultaneous exchange of a Glauber quark and a Glauber gluon. SCET with quark and gluon Glauber operators therefore provides a framework to systematically study the structure of QCD amplitudes in the Regge limit, and derive constraints on higher order amplitudes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Random Phase Approximation Correlation Energy Using Real-Space Density Functional Perturbation Theory

We present a real-space method for computing the random phase approximation (RPA) correlation energy within Kohn–Sham density functional theory, leveraging the low-rank nature of the frequency-dependent density response operator. In particular, we employ a cubic-scaling formalism based on density functional perturbation theory that circumvents the calculation of the response function matrix, instead relying on the ability to compute its product with a vector through the solution of the associated Sternheimer linear systems. We develop a large-scale parallel implementation of this formalism using the subspace iteration method in conjunction with the spectral quadrature method while employing the Kronecker product-based method for the application of the Coulomb operator and the conjugate orthogonal conjugate gradient method for the solution of the linear systems. We demonstrate convergence with respect to key parameters and verify the method’s accuracy by comparing with plane-wave results. We show that the framework achieves good strong scaling to many thousands of processors, reducing the time to solution for a lithium hydride system with 128 electrons to around 150 s on 4608 processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

One-loop free energy of tensionless type IIB string in AdS 5 ×S 5

Considering the zero ’t Hooft coupling limit of $\mathcal{N}$=4 super-Yang-Mills theory, the exact spectrum of all single-trace operators can be accessed in terms of the underlying so (2, 4) character. This makes it possible in turn to compute the one-loop free energy of the tensionless type IIB string theory in AdS 5 ×S 5 background, with help of the recently developed method of character integral representation of zeta function (CIRZ) . We calcu-late first the one-loop free energy of the string states in the ( p - 1)-th Regge trajectory and find the result to be p times the free energy of a single $\mathcal{N}$=4 Maxwell multiplet. The full one-loop free energy is hence proportional to the divergent series $\sum^{∞}_{p=2}p$. The divergence arises as a result of interrupting the regularization procedure in an intermediate stage. With a reorganization of states, we extract the finite part of free energy after summing over the Regge trajectories. This way gives us a finite result which is minus of the free energy of the $\mathcal{N}$=4 multiplet. Hence, this bulk one-loop result matches the -1 term in the N 2 - 1 factor of the boundary result.

1/N expansion↗
DOE OSTI2023

Mean Flow from Phase Averages in the 2D Boussinesq Equations

The atmosphere and ocean are described by highly oscillatory PDEs that challenge both our understanding of their dynamics and their numerical approximation. This paper presents a preliminary numerical study of one type of phase averaging applied to mean flows in the 2D Boussinesq equations that also has application to numerical methods. The phase averaging technique, well-known in dynamical systems theory, relies on a mapping using the exponential operator, and then an averaging over the phase. The exponential operator has connections to the Craya–Herring basis pioneered by Jack Herring to study the fluid dynamics of oscillatory, nonlinear fluid dynamics. In this paper, we perform numerical experiments to study the effect of this averaging technique on the time evolution of the solution. We explore its potential as a definition for mean flows. We also show that, as expected from theory, the phase-averaging method can reduce the magnitude of the time rate of change in the PDEs, making them potentially suitable for time stepping methods.

Wingate, Beth A.↗
DOE OSTI2025

Controlled gate networks: theory and application to eigenvalue estimation

We introduce a new scheme for quantum circuit design called controlled gate networks. Rather than trying to reduce the complexity of individual unitary operations, the new strategy is to toggle between all of the unitary operations needed with the fewest number of gates. We present the general theory of controlled gate networks and show that, under quite general conditions, it can significantly reduce the number of two-qubit gates needed to produce linear combinations of unitary operators. The first example we consider is a variational subspace calculation for a two-qubit system. The second example is estimating the eigenvalues of a two-qubit Hamiltonian via the rodeo algorithm (Choi et al. in Phys Rev Lett 127(4):040505, 2021. https://doi.org/10.1103/PhysRevLett.127.040505) using operators that we call controlled reversal gates. We use the Quantinuum H1-2 and IBM Perth devices to realize the quantum circuits. The third example is the application of controlled gate networks to the controlled time evolution of a free nucleon on a three-dimensional lattice. For all of the examples, we show very substantial reductions in the number of two-qubit gates required. Our work demonstrates that controlled gate networks are a useful tool for reducing gate complexity in quantum algorithms for quantum many-body problems such as those relevant to nuclear physics.

Bee-Lindgren, Max [Georgia Institute of Technology↗
NASA NTRS1974

Theory and comparison with tests of two full-scale proprotors

A nine degrees-of-freedom theoretical model was developed for investigations of the dynamics of a proprotor operating in high inflow axial flight on a cantilever wing. The theory is described, and the results of the analysis are presented for two proprotor configurations: a gimballed, stiff-inplane rotor, and a hingeless, soft-inplane rotor. The influence of various elements of the theory are discussed, including the modeling used for the blade and wing aerodynamics, and the influence of the rotor lag degree of freedom. The results from full-scale tests of the two proprotors are presented and compared with the theoretical results.

Johnson, W.↗
DOE OSTI2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

Here, the accurate mapping of potential energy surfaces (PESs) is crucial to our understanding of the numerous physical and chemical processes mediated by atomic rearrangements, such as conformational changes and chemical reactions, and the thermodynamic and kinetic feasibility of these processes. Stochastic electronic structure theories, e.g., Quantum Monte Carlo (QMC) methods, enable highly accurate total energy calculations that in principle can be used to construct the PES. However, their stochastic nature poses a challenge to the computation and use of forces and Hessians, which are typically required in algorithms for minimum-energy pathway (MEP) and transition state (TS) identification, such as the nudged elastic band (NEB) algorithm and its climbing image formulation. Here, we present strategies that utilize the surrogate Hessian line-search method, previously developed for QMC structural optimization, to efficiently identify MEP and TS structures without requiring force calculations at the level of the stochastic electronic structure theory. By modifying the surrogate Hessian algorithm to operate in path-orthogonal subspaces and at saddle points, we show that it is possible to identify MEPs and TSs by using a force-free QMC approach. We demonstrate these strategies via two examples, the inversion of the ammonia (NH 3 ) molecule and the nucleophilic substitution (S N 2) reaction F – + CH 3 F → FCH 3 + F – . We validate our results using Density Functional Theory (DFT)- and Coupled Cluster (CCSD, CCSD(T))-based NEB calculations. We then introduce a hybrid DFT-QMC approach to compute thermodynamic and kinetic quantities, free energy differences, rate constants, and equilibrium constants that incorporates stochastically optimized structures and their energies, and show that this scheme improves upon DFT accuracy. Our methods generalize straightforwardly to other systems and other high-accuracy theories that similarly face challenges computing energy gradients, paving the way for highly accurate PES mapping, transition state determination, and thermodynamic and kinetic calculations at significantly reduced computational expense.

Iyer, Gopal R.↗
DOE OSTI2020

Soft de Sitter Effective Theory

Calculating the quantum evolution of a de Sitter universe on superhorizon scales is notoriously difficult. To address this challenge, we introduce the Soft de Sitter Effective Theory (SdSET). This framework holds for superhorizon modes whose comoving momentum is far below the UV scale, which is set by the inverse comoving horizon. The SdSET is formulated using the same approach that yields the Heavy Quark Effective Theory. The degrees of freedom that capture the long wavelength dynamics are identified with the growing and decaying solutions to the equations of motion. The operator expansion is organized using a power counting scheme, and loops can be regulated while respecting the low energy symmetries. For massive quantum fields in a fixed de Sitter background, power counting implies that all interactions beyond the horizon are irrelevant. Alternatively, if the fields are very light, the leading interactions are at most marginal, and resumming the associated logarithms using (dynamical) renormalization group techniques yields the evolution equation for canonical stochastic inflation. The SdSET is also applicable to models where gravity is dynamical, including inflation. In this case, diffeomorphism invariance ensures that all interactions are irrelevant, trivially implying the all-orders conservation of adiabatic density fluctuations and gravitational waves. We briefly touch on the application to slow-roll eternal inflation by identifying novel relevant operators. This work serves to demystify many aspects of perturbation theory outside the horizon, and has a variety of applications to problems of cosmological interest.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Non-chiral vertex operator algebra associated to Lorentzian lattices and Narain CFTs

Frenkel, Lepowsky, and Meurman constructed a vertex operator algebra (VOA) associated to any even, integral, Euclidean lattice. In the language of physics, these are examples of chiral conformal field theories (CFT). In this paper, we define non-chiral vertex operator algebra and some associated notions. We then give a construction of a non-chiral VOA associated to an even, integral, Lorentzian lattice and construct their irreducible modules. We obtain the moduli space of such modular invariant non-chiral CFTs based on even, self-dual Lorentzian lattices of signature (m,n) ( m , n ) assuming the validity of a technical result about automorphisms of the lattice. We finally show that Narain conformal field theories in physics are examples of non-chiral VOA. Our formalism helps us to identify the chiral algebra of Narain CFTs in terms of a particular sublattice and give us the decomposition of its partition function into sum of characters.

Singh, Ranveer Kumar (ORCID:000000026385704X)↗
DOE OSTI2022

Approximate symmetries in d = 4 CFTs with an Einstein gravity dual

By applying the stress-tensor-scalar operator product expansion (OPE) twice, we search for algebraic structures in d = 4 conformal field theories (CFTs) with a pure Einstein gravity dual. We find that a rescaled mode operator defined by an integral of the stress tensor T ++ on a d = 2 plane satisfies a Virasoro-like algebra when the dimension of the scalar is large. The structure is enhanced to include a Kac-Moody-type algebra if we incorporate the T -- component. In our scheme, the central terms are finite. It remains challenging to directly compute the stress-tensor sector of d = 4 scalar four-point functions at large central charge, which, based on holography and bootstrap methods, were recently shown to have a Virasoro/ $\mathcal{W}$-algebra vacuum block-like structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Harmonic analysis and mean field theory

We review some aspects of harmonic analysis for the Euclidean conformal group, including conformally-invariant pairings, the Plancherel measure, and the shadow transform. We introduce two efficient methods for computing these quantities: one based on weight-shifting operators, and another based on Fourier space. As an application, we give a general formula for OPE coefficients in Mean Field Theory (MFT) for arbitrary spinning operators. We apply this formula to several examples, including MFT for fermions and “seed” operators in 4d, and MFT for currents and stress-tensors in 3d.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Quantum algorithms for open lattice field theory

Certain aspects of some unitary quantum systems are well described by evolution via a non-Hermitian effective Hamiltonian, as in the Wigner-Weisskopf theory for spontaneous decay. Conversely, any non-Hermitian Hamiltonian evolution can be accommodated in a corresponding unitary system + environment model via a generalization of Wigner-Weisskopf theory. This demonstrates the physical relevance of novel features such as exceptional points in quantum dynamics, and opens up avenues for studying many-body systems in the complex plane of coupling constants. In the case of lattice field theory, sparsity lends these channels the promise of efficient simulation on standardized quantum hardware. We thus consider quantum operations that correspond to Suzuki-Lie-Trotter approximation of lattice field theories undergoing nonunitary time evolution, with potential applicability to studies of spin or gauge models at finite chemical potential, with topological terms, to quantum phase transitions—a range of models with sign problems. We develop non-Hermitian quantum circuits and explore their promise on a benchmark, the quantum one-dimensional Ising model with complex longitudinal magnetic field, showing that observables can probe the Lee-Yang edge singularity. The development of attractors past critical points in the space of complex couplings indicates a potential for study on near-term noisy hardware.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

An apologia for islands

Entanglement islands have played a key role in the recent derivation of the Page curve and other progress on the black hole information problem. Arising from the inclusion of connected wormhole saddles in a gravitational replica trick, islands signal that degrees of freedom in the black hole interior are not microscopically independent of the exterior Hawking radiation. Islands were originally discovered in the context of AdS/CFT coupled to an external, nongravitating reservoir, where the coupling gives graviton excitations an anomalous boundary scaling dimension (or “mass”). It has been claimed in the literature that this mass is crucial for the existence of islands and even the Page curve itself. In this paper, however, we explain how entanglement islands can also appear in setups with massless gravitons and no external reservoir, giving a number of examples including the entanglement wedges of boundary CFT regions, of radiation at null infinity in asymptotically flat spacetimes, and of radiation inside a semiclassical but gravitating spacetime. In each case, the Page curve is physically observable and can be determined with sufficiently careful experiments on many copies of the black hole. We give general arguments for the existence of gauge-invariant operators in gravity which are compactly supported to all orders in perturbation theory (whenever no isometries of the background spacetime exist) and refine a recently-proposed explicit construction of such operators. When applied to islands, these results — together with entanglement wedge reconstruction — guarantee that semiclassical operators in the island can be approximated by nonperturbative operators on the Hawking radiation.

AdS-CFT Correspondence↗