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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 271 records · Page 15

Minimizing the impacts of the ammonia economy on the nitrogen cycle and climate

Ammonia (NH 3 ) is an attractive low-carbon fuel and hydrogen carrier. However, losses and inefficiencies across the value chain could result in reactive nitrogen emissions (NH 3 , NO x , and N 2 O), negatively impacting air quality, the environment, human health, and climate. A relatively robust ammonia economy (30 EJ/y) could perturb the global nitrogen cycle by up to 65 Mt/y with a 5% nitrogen loss rate, equivalent to 50% of the current global perturbation caused by fertilizers. Moreover, the emission rate of nitrous oxide (N 2 O), a potent greenhouse gas and ozone-depleting molecule, determines whether ammonia combustion has a greenhouse footprint comparable to renewable energy sources or higher than coal (100 to 1,400 gCO 2 e/kWh). The success of the ammonia economy hence hinges on adopting optimal practices and technologies that minimize reactive nitrogen emissions. We discuss how this constraint should be included in the ongoing broad engineering research to reduce environmental concerns and prevent the lock-in of high-leakage practices.

54 ENVIRONMENTAL SCIENCES↗

Mechanism-guided engineering of a minimal biological particle for genome editing

The widespread application of genome editing to treat and cure disease requires the delivery of genome editors into the nucleus of target cells. Enveloped delivery vehicles (EDVs) are engineered virally derived particles capable of packaging and delivering CRISPR-Cas9 ribonucleoproteins (RNPs). However, the presence of lentiviral genome encapsulation and replication proteins in EDVs has obscured the underlying delivery mechanism and precluded particle optimization. Here, we show that Cas9 RNP nuclear delivery is independent of the native lentiviral capsid structure. Instead, EDV-mediated genome editing activity corresponds directly to the number of nuclear localization sequences on the Cas9 enzyme. EDV structural analysis using cryo-electron tomography and small molecule inhibitors guided the removal of ~80% of viral residues, creating a minimal EDV (miniEDV) that retains full RNP delivery capability. MiniEDVs are 25% smaller yet package equivalent amounts of Cas9 RNPs relative to the original EDVs and demonstrated increased editing in cell lines and therapeutically relevant primary human T cells. These results show that virally derived particles can be streamlined to create efficacious genome editing delivery vehicles with simpler production and manufacturing.

59 BASIC BIOLOGICAL SCIENCES↗

A minimal complex of KHNYN and zinc-finger antiviral protein binds and degrades single-stranded RNA

Detecting viral infection is a key role of the innate immune system. The genomes of some RNA viruses have a high CpG dinucleotide content relative to most vertebrate cell RNAs, making CpGs a molecular marker of infection. The human zinc-finger antiviral protein (ZAP) recognizes CpG, mediates clearance of the foreign CpG-rich RNA, and causes attenuation of CpG-rich RNA viruses. While ZAP binds RNA, it lacks enzymatic activity that might be responsible for RNA degradation and thus requires interacting cofactors for its function. One of these cofactors, KHNYN, has a predicted nuclease domain. Using biochemical approaches, we found that the KHNYN NYN domain is a single-stranded RNA ribonuclease that does not have sequence specificity and digests RNA with or without CpG dinucleotides equivalently in vitro. We show that unlike most KH domains, the KHNYN KH domain does not bind RNA. Indeed, a crystal structure of the KH region revealed a double-KH domain with a negatively charged surface that accounts for the lack of RNA binding. Rather, the KHNYN C-terminal domain (CTD) interacts with the ZAP RNA-binding domain (RBD) to provide target RNA specificity. We define a minimal complex composed of the ZAP RBD and the KHNYN NYN-CTD and use a fluorescence polarization assay to propose a model for how this complex interacts with a CpG dinucleotide-containing RNA. In the context of the cell, this module would represent the minimum ZAP and KHNYN domains required for CpG-recognition and ribonuclease activity essential for attenuation of viruses with clusters of CpG dinucleotides.

Yeoh, Zoe C. (ORCID:0000000226949068)↗

Sequential Selection for Minimizing the Variance with Application to Crystallization Experiments

For many crystal-based products (e.g., pharmaceuticals, energy storage), the size uniformity is not only a key quality attribute, but sometimes also an indicator of other attributes such as solid purity. This article proposes a sequential selection approach to find a proper experimental setting that leads to high uniformity, or equivalently, small variance for crystal sizes, from the advanced slug flow reaction crystallization process of a model crystal, called manganese oxalate hydrate. The proposed sequential selection approach contains a Bayesian adaptive method to incorporate new uniformity measurements in each step and two design acquisition functions to improve the selection of the most promising experimental setting in terms of minimizing the variance. We study the performance of the proposed approach through multiple synthetic numerical studies, as well as a case study based on data from slug flow crystallization experiments. Throughout these studies, the proposed approach shows competitive performance in identifying the best experimental setting.

Expected improvement↗

2D dilaton-gravity, deformations of the minimal string, and matrix models

A large class of two-dimensional dilaton-gravity theories in asymptotically AdS2 spacetimes are holographically dual to a matrix integral, interpreted as an ensemble average over Hamiltonians. Viewing these theories as Jackiw–Teitelboim gravity with a gas of defects, we extend this duality to a broader class of dilaton potentials compared to previous work by including conical defects with small deficit angles. In order to do this we show that these theories are equal to the large p limit of a natural deformation of the (2, p) minimal string theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Gutzwiller conjugate gradient minimization method for correlated electron systems

In this report we review our recent work on the Gutzwiller conjugate gradient minimization method, an ab initio approach developed for correlated electron systems. The complete formalism has been outlined that allows for a systematic understanding of the method, followed by a discussion of benchmark studies of dimers, one- and two-dimensional single-band Hubbard models. In the end, we present some preliminary results of multi-band Hubbard models and large-basis calculations of F 2 to illustrate our efforts to further reduce the computational complexity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Minimizing separatrix crossings through isoprominence

Abstract A simple property of magnetic fields that minimizes bouncing to passing type transitions of guiding center orbits is defined and discussed. This property, called isoprominence, is explored through the framework of a near-axis expansion. It is shown that isoprominent magnetic fields for a toroidal configuration exist to all orders in a formal expansion about a magnetic axis. Some key geometric features of these fields are described.

confinement↗

Minimal warm inflation

Slow-roll inflation is a successful paradigm. However we find that even a small coupling of the inflaton to other light fields can dramatically alter the dynamics and predictions of inflation. As an example, the inflaton can generically have an axion-like coupling to gauge bosons. Even relatively small couplings will automatically induce a thermal bath during inflation. The thermal friction from this bath can easily be stronger than Hubble friction, significantly altering the usual predictions of any particular inflaton potential. Thermal effects suppress the tensor-to-scalar ratio r significantly, and predict unique non-gaussianities. This axion-like coupling provides a minimal model of warm inflation which avoids the usual problem of thermal backreaction on the inflaton potential. As a specific example, we find that hybrid inflation with this axion-like coupling can easily fit the current cosmological data.

79 ASTRONOMY AND ASTROPHYSICS↗

Gravitational wave imprints of left-right symmetric model with minimal Higgs sector

We study the gravitational wave imprints of left-right symmetric model equipped with universal seesaw mechanism allowing for the natural generation of hierarchical masses of the Standard Model fermions. The scalar sector of this model is the minimal one, consisting of only two Higgs doublets. Following the construction of the full thermal potential for this model, we perform a scan of the entire parameter space and identify the region in which the cosmic phase transition associated with the left-right symmetry breaking gives gravitational wave signals detectable by a variety of planned space-based interferometers. Then we also discuss the relevant collider implications of this beyond the Standard Model scenario.

79 ASTRONOMY AND ASTROPHYSICS↗

Minimizing phase-space energies

A primary technical challenge for harnessing fusion energy is to control and extract energy from a nonthermal distribution of charged particles. The fact that phase space evolves by symplectomorphisms fundamentally limits how a distribution may be manipulated. While the constraint of phase-space volume preservation is well understood, other constraints remain to be fully appreciated. To better understand these constraints, we study the problem of extracting energy from a distribution of particles using area-preserving and symplectic linear maps. When a quadratic potential is imposed, we find that the maximal extractable energy can be computed as trace minimization problems. We solve these problems and show that the extractable energy under linear symplectomorphisms may be much smaller than the extractable energy under special linear maps. As a result, the method introduced in the present study enables an energy-based proof of the linear Gromov nonsqueezing theorem.

First-principles calculations in plasma physics↗

Minimally entangled state preparation of localized wave functions on quantum computers

Initializing a single site of a lattice scalar field theory into an arbitrary state with support throughout the quantum register requires $O(2^{nQ})$ entangling gates on a quantum computer with $n_Q$ qubits per site. It is conceivable that instead initializing to functions that are good approximations to states may have utility in reducing the number of required entangling gates. In the case of a single site of a noninteracting scalar field theory, initializing to a symmetric exponential wave function requires $n_Q – 1$ entangling gates, the minimal number necessary to create an entangled state of all $n_Q$ qubits. This is compared with the $2^{nQ – 1} + n_Q – 3 + δ_{nQ, 1}$ required for a symmetric Gaussian wave function. In this work, we explore the initialization of one-site $(n_Q = 4)$, two-site $(n_Q = 3)$, and three-site ( n Q = 3 ) noninteracting scalar field theories with symmetric exponential wave functions using IBM's quantum simulators and quantum devices (Poughkeepsie and Tokyo). With the digitizations attainable with $n_Q = 3,4$, these tensor-product wave functions are found to have large overlap with a Gaussian wave function and provide a suitable low-noise initialization for improvement and Somma inflation. Further, in performing these simulations, we have employed a workflow that interleaves calibrations to mitigate systematic errors in production. The calibrations allow tolerance cuts on gate performance including the fidelity of the symmetrizing Hadamard gate, both in vacuum $(|\textbf{0}\gg^{\bigotimes nQ})$ and in medium ($n_Q –1$ qubits initialized to an exponential function). The results obtained in this work are relevant to systems beyond scalar field theories, such as the deuteron radial wave function, two- and three-dimensional Cartesian-space wave functions, and nonrelativistic multinucleon systems built on a localized eigenbasis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Ground-state properties of the Hubbard model in one and two dimensions from the Gutzwiller conjugate gradient minimization theory

We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM uses the Gutzwiller wave function but does not use the commonly adopted Gutzwiller approximation (GA), which is a major source of inaccuracy. Instead, the theory uses an approximation that is based on the occupation probability of the on-site configurations, rather than approximations that decouple the site-site correlations as used in the GA. We test the theory in the one-dimensional and two-dimensional Hubbard models at various electron densities and find that GCGM reproduces energies and double occupancies in reasonable agreement with benchmark data at a very small computational cost.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Minimal two-body quantum absorption refrigerator

Here, we study the phenomenon of absorption refrigeration, where refrigeration is achieved by heating instead of work, in two different setups: a minimal set up based on coupled qubits and two nonlinearly coupled resonators. Considering ZZ interaction between the two qubits, we outline the basic ingredients required to achieve cooling. Using local as well as global master equations, we observe that inclusion of an XX type term in the qubit-qubit coupling is detrimental to cooling. We compare the cooling effect obtained in the qubit case with that of nonlinearly coupled resonators (multilevel system) where the ZZ interaction translates to a Kerr-type nonlinearity. For small to intermediate strengths of nonlinearity, we observe that multilevel quantum systems, for example qutrits, give better cooling effect compared to the qubits. Using Keldysh nonequilibrium Green's function formalism, we go beyond first order sequential tunneling processes and study the effect of higher order processes on refrigeration. We find a reduced cooling effect compared to the master equation calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Benchmarks and results of the two-band Hubbard model from the Gutzwiller conjugate gradient minimization theory

Ground-state properties, such as energies and double occupancies, of a one-dimensional two-band Hubbard model are calculated using a first-principles Gutzwiller conjugate gradient minimization theory. The favorable agreement with the results from the density matrix renormalization group theory demonstrates the accuracy of our method. A rotationally invariant approach is further incorporated into the method to greatly reduce the computational complexity with a speedup of approximately 50 times. Moreover, we investigate the Mott transition between a metal and a Mott insulator by evaluating the charge gap. In conclusion, with greatly reduced computational effort, our method reproduces the phase diagram in reasonable agreement with the density matrix renormalization group theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Anomalous Hall crystals in rhombohedral multilayer graphene. II. General mechanism and a minimal model

Here we propose a minimal "three-patch model"for the anomalous Hall crystal (AHC), a topological electronic state that spontaneously breaks both time-reversal symmetry and continuous translation symmetry. The proposal for this state is inspired by the recently observed integer and fractional quantum Hall states in rhombohedral multilayer graphene at zero magnetic field. There, interaction effects appear to amplify the effects of a weak moiré potential, leading to the formation of stable, isolated Chern bands. It has been further shown that Chern bands are stabilized in mean-field calculations even without a moiré potential, enabling a realization of the AHC state. Our model is built on the dissection of the Brillouin zone into patches centered around high-symmetry points. Within this model, the wave functions at high-symmetry points fully determine the topology and energetics of the state. We extract two quantum geometrical phases of the noninteracting wave functions that control the stability of the topologically nontrivial AHC state. The model predicts that the AHC state wins over the topological trivial Wigner crystal in a wide range of parameters, and agrees very well with the results of full self-consistent Hartree-Fock calculations of the rhombohedral multilayer graphene Hamiltonian.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Detailed examination of astrophysical constraints on the symmetry energy and the neutron skin of 208 Pb with minimal modeling assumptions

We report the symmetry energy and its density dependence are pivotal for many nuclear physics and astrophysics applications, as they determine properties ranging from the neutron-skin thickness of nuclei to the crust thickness and the radius of neutron stars. Recently, PREX-II reported a value of 0.283 ± 0.071 fm for the neutron-skin thickness of 208 Pb, $R^{^{208}Pb}_{skin}$, implying a symmetry-energy slope parameter L of 106 ± 37 MeV, larger than most ranges obtained from microscopic calculations and other nuclear experiments. We use a nonparametric equation of state representation based on Gaussian processes to constrain the symmetry energy S 0 , L, and $R^{^{208}Pb}_{skin}$ directly from observations of neutron stars with minimal modeling assumptions. The resulting astrophysical constraints from heavy pulsar masses, LIGO/Virgo, and NICER favor smaller values of the neutron skin and L, as well as negative symmetry incompressibilities. Combining astrophysical data with chiral effective field theory (χEFT) and PREX-II constraints yields S 0 = 33.0$^{+2.0}_{-1.8}$ MeV, L = 53$^{+14}_{-15}$ MeV, and $R^{^{208}Pb}_{skin}$ = 0.17 $^{+0.04}_{-0.04}$ fm. We also examine the consistency of several individual χEFT calculations with astrophysical observations and terrestrial experiments. We find that there is only mild tension between χ EFT, astrophysical data, and PREX-II's $R^{^{208}Pb}_{skin}$ measurement (p value = 12.3%) and that there is excellent agreement between χEFT, astrophysical data, and other nuclear experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗

Single-channel and single-energy partial-wave analysis with continuity improved through minimal phase constraints

Single-energy partial-wave analysis has often been applied as a way to fit data with minimal model dependence. However, remaining unconstrained, partial waves at neighboring energies will vary discontinuously because the overall amplitude phase cannot be determined through single-channel measurements. This problem can be mitigated through the use of a constraining penalty function based on an associated energy-dependent fit. However, the weight given to this constraint results in a biased fit to the data. In this paper, for the first time, we explore a constraining function which does not influence the fit to data. The constraint comes from the overall phase found in multichannel fits which, in the present study, are the Bonn-Gatchina and Jülich-Bonn multichannel analyses. The data are well reproduced and weighting of the penalty function does not influence the result. The method is applied to K⁢Λ photoproduction data and all observables can be maximally well reproduced. While the employed multichannel analyses display very different multipole amplitudes, we show that the major difference between two sets of multipoles can be related to the different overall phases.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Random matrix model of the Virasoro minimal string

The model of two dimensional quantum gravity defining the Virasoro minimal string, presented recently by Collier, Eberhardt, Mühlmann, and Rodriguez, was also shown to be perturbatively (in topology) equivalent to a random matrix model. An alternative definition is presented here, in terms of double-scaled orthogonal polynomials, thereby allowing direct access to nonperturbative physics. Already at leading order, the defining string equation’s properties yield valuable information about the nonperturbative fate of the model, confirming that the case ( c = 25 , c ^ = 1 ) (central charges of spacelike and timelike Liouville sectors) is special, by virtue of sharing certain key features of the N = 1 supersymmetric JT gravity string equation. Solutions of the full string equation are constructed using a special limit, and the (Cardy) spectral density is completed to all genus and beyond. The distributions of the underlying discrete spectra are readily accessible too, as is the spectral form factor. Some examples of these are exhibited. Published by the American Physical Society 2024

Astronomy & Astrophysics↗