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DOE OSTI2025

(SPT-)LSM theorems from projective non-invertible symmetries

Projective symmetries are ubiquitous in quantum lattice models and can be leveraged to constrain their phase diagram and entanglement structure. In this paper, we investigate the consequences of projective algebras formed by non-invertible symmetries and lattice translations in a generalized 1+1 1 + 1 D quantum XY model based on group-valued qudits. This model is specified by a finite group G G and enjoys a projective \mathsf{Rep}(G)× Z(G) 𝖱 𝖾 𝗉 ( G ) × Z ( G ) and translation symmetry, where symmetry operators obey a projective algebra in the presence of symmetry defects. For invertible symmetries, such projective algebras imply Lieb-Schultz-Mattis (LSM) anomalies. However, this is not generally true for non-invertible symmetries, and we derive a condition on G G for the existence of an LSM anomaly. When this condition is not met, we prove an SPT-LSM theorem: any unique and gapped ground state is necessarily a non-invertible weak symmetry protected topological (SPT) state with non-trivial entanglement, for which we construct an example fixed-point Hamiltonian. The projectivity also affects the dual symmetries after gauging \mathsf{Rep}(G)× Z(G) 𝖱 𝖾 𝗉 ( G ) × Z ( G ) sub-symmetries, giving rise to non-Abelian and non-invertible dipole symmetries, as well as non-invertible translations. We complement our analysis with the SymTFT, where the projectivity causes it to be a topological order non-trivially enriched by translations. Throughout the paper, we develop techniques for gauging \mathsf{Rep}(G) 𝖱 𝖾 𝗉 ( G ) symmetry and inserting its symmetry defects on the lattice, which are applicable to other non-invertible symmetries.

Pace, Salvatore D. (ORCID:0000000306093335)↗

DOE OSTI2023

Densely Connected G-invariant Deep Neural Networks with Signed Permutation Representations

We introduce and investigate, for finite groups G, G-invariant deep neural network (GDNN) architectures with ReLU activation that are densely connected- i.e., include all possible skip connections. In contrast to other G-invariant architectures in the literature, the preactivations of theG-DNNs presented here are able to transform by signed permutation representations (signed perm-reps) of G. Moreover, the individual layers of the G-DNNs are not required to be G-equivariant; instead, the preactivations are constrained to be G-equivariant functions of the network input in a way that couples weights across all layers. The result is a richer family of G-invariant architectures never seen previously. We derive an efficient implementation of G-DNNs after a reparameterization of weights, as well as necessary and sufficient conditions for an architecture to be "admissible"- i.e., nondegenerate and inequivalent to smaller architectures. We include code that allows a user to build a G-DNN interactively layer-by-layer, with the final architecture guaranteed to be admissible. We show that there are far more admissible G-DNN architectures than those accessible with the "concatenated ReLU" activation function from the literature. Finally, we apply G-DNNs to two example problems--(1) multiplication in --1, 1} (with theoretical guarantees) and (2) 3D object classification--finding that the inclusion of signed perm-reps significantly boosts predictive performance compared to baselines with only ordinary (i.e., unsigned) perm-reps.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1991

Importance of eccentric actions in performance adaptations to resistance training

The importance of eccentric (ecc) muscle actions in resistance training for the maintenance of muscle strength and mass in hypogravity was investigated in experiments in which human subjects, divided into three groups, were asked to perform four-five sets of 6 to 12 repetitions (rep) per set of three leg press and leg extension exercises, 2 days each weeks for 19 weeks. One group, labeled 'con', performed each rep with only concentric (con) actions, while group con/ecc with performed each rep with only ecc actions; the third group, con/con, performed twice as many sets with only con actions. Control subjects did not train. It was found that resistance training wih both con and ecc actions induced greater increases in muscle strength than did training with only con actions.

Dudley, Gary A.↗

NASA NTRS1999

High-Energy Space Propulsion Based on Magnetized Target Fusion

A conceptual study is made to explore the feasibility of applying magnetized target fusion (MTF) to space propulsion for omniplanetary travel. Plasma-jet driven MTF not only is highly amenable to space propulsion, but also has a number of very attractive features for this application: 1) The pulsed fusion scheme provides in situ a very dense hydrogenous liner capable of moderating the neutrons, converting more than 97% of the neutron energy into charged particle energy of the fusion plasma available for propulsion. 2) The fusion yield per pulse can be maintained at an attractively low level (< 1 GJ) despite a respectable gain in excess of 70. A compact, low-weight engine is the result. An engine with a jet power of 25 GW, a thrust of 66 kN, and a specific impulse of 77,000 s, can be achieved with an overall engine mass of about 41 metric tons, with a specific power density of 605 kW/kg, and a specific thrust density of 1.6 N/kg. The engine is rep-rated at 40 Hz to provide this power and thrust level. At a practical rep-rate limit of 200 Hz, the engine can deliver 128 GW jet power and 340 kN of thrust, at specific power and thrust density of 1,141 kW/kg and 3 N/kg respectively. 3) It is possible to operate the magnetic nozzle as a magnetic flux compression generator in this scheme, while attaining a high nozzle efficiency of 80% in converting the spherically radial momentum of the fusion plasma to an axial impulse. 4) A small fraction of the electrical energy generated from the flux compression is used directly to recharge the capacitor bank and other energy storage equipment, without the use of a highvoltage DC power supply. A separate electrical generator is not necessary. 5) Due to the simplicity of the electrical circuit and the components, involving mainly inductors, capacitors, and plasma guns, which are connected directly to each other without any intermediate equipment, a high rep-rate (with a maximum of 200 Hz) appears practicable. 6) All fusion related components are within the current state of the art for pulsed power technology. Experimental facilities with the required pulsed power capabilities already exist. 7) The scheme does not require prefabricated fuel target and liner hardware in any esoteric form or state. All necessary fuel and liner material are introduced into the engine in the form of ordinary matter in gaseous state at room temperature, greatly simplifying their handling on board. They are delivered into the fusion reaction chamber in a completely standoff manner.

Thio, Y. C. F.↗

NASA NTRS2001

High Power Thruster Based on Inductive Magnetized Plasmoid Acceleration

Regardless of the power source, deep space missions will require both high specific impulse (greater than 500 s) and high thrust power (greater than 100kW). These high Isp thrusters will need to have high electrical efficiency (approx. 90%) and low specific mass (alpha approximately less than 10 kg/kW) as well. Additionally they should have high thrust to allow greater mission flexibility. All these requirements can potentially be achieved with the pulsed formation and acceleration of magnetically self-confined plasmoids commonly referred to as compact toroids (CTs). An electromagnetic plasma thruster based on CT acceleration makes an ideal candidate for a high power, high Isp thruster, since the CT is magnetically isolated from the accelerator so that there is no contact between the propellant and the accelerator. The transfer of momentum to the CT occurs through an electromagnetic interaction with the magnetic field. By maintaining an axial magnetic field gradient across it, the directed velocity of the CT can be increased indefinitely. In previous experiments carried out at the University of Washington, CT's of near milligram mass were accelerated to velocities of 250 km/s in a single pulse. The ejection of the plasmoid by an external axial field also avoids the serious problem of detachment, which would occur in thrusters that employ a magnetic mirror or magnetic nozzle. To employ the CT for propulsion, one must design, construct and test a plasma source that is capable of generating a self-confined plasma inductively, and to do it repeatedly at a sufficiently high rep rate. A repetitively pulsed 100 kW level FRC thruster was built and was operated for short bursts at a 10 kHz rep rate and will be described. Another regime for the FRC thruster however is to produce an FRC in a more conventional manner at high voltage and magnetic field. With the large energy transfer with each pulse, the rep rate for this approach is much lower (approximately 100 Hz). This is the approach that is being evaluated at MSFC in the FAST experiment. The purpose of this experiment is to build an FRC thruster, measure its performance characteristics e.g. specific impulse, thrust, and efficiency. This experiment will also be described as well as various mission scenarios that that are well matched for this type of propulsion.

Slough, John↗

NASA NTRS2005

Development of Spacecraft to Exploit Electric Propulsion for Outer Planetary Exploration

Outer planetary exploration spacecraft have relied on Radioisotope Power Systems (RPS) to provide power. This is necessary as solar power is not useful beyond the inner planets. For propulsion these spacecraft have made use of chemical systems. A study was undertaken to look at the possibility of designing a spacecraft for outer planetary exploration that would use an RPS in combination with Electric Propulsion. That is, the RPS would be the sole power provider to the EP system. Recent improvements in RPS s have made Radioisotope Electric Propulsion (REP) more of a possibility. The combined power and propulsion technologies of REP and a direct trajectory would potentially enable a new class of missions - high delta V, beyond Mars orbit for a small spacecraft primarily suited for small body capture (orbit capture or co-orbit). A study was undertaken to evaluate the feasibility of a REP spacecraft for a selected representative mission of this type. To evaluate the potential of these technologies, a design reference mission was established and a conceptual design of a spacecraft developed. The following paper describes the Ion Propulsion System, one particular subsystem onboard of the spacecraft.

Roche, Joseph M.↗

NASA NTRS2005

Interplanetary Sample Return Missions Using Radioisotope Electric Propulsion

Solar electric propulsion (SEP) is being used for a variety of planetary missions sponsored by ESA, JAXA, and NASA and nuclear electric propulsion (NEP) is being considered for future, flagship-class interplanetary missions. Radioisotope electric propulsion (REP) has recently been shown to effectively complement SEP and NEP for missions to high-AU targets with modest payload requirements. This paper investigates the application of an advanced REP for a sample return from the comet Tempel 1. A set of mission and system parameters are varied with the goal of quantifying their impact on total mission payload. Mission parameters considered include trip-time and Earth return entry interface speed of the sample return system. System parameters considered include launch vehicle, power level of spacecraft at beginning of mission, and thruster specific impulse. For the baseline case of Atlas 401 and REP power level of 750 W, the mission time was 12 years, the payload was 144 kg, and the missions optimized to a single specific impulse generally within Hall ion thruster range. Other cases were investigated in support of graduate studies, and include the larger Atlas 551 launch vehicle and extended power level to 1 kW. The Atlas 551 cases tended to optimize dual specific impulses generally in the Hall ion thruster range for both legs of the mission. A power level of at least 1-kW and trip-time of approximately 11 years was required to obtain a total science payload close to 320 kg for the Atlas 401 launch vehicle. An Atlas 551 launch vehicle yielded a science payload of approximately 540 kg for the case of 1-kW of power and an 11-year trip time, and nearly 250 kg of science payload for the case of 1-kW of power and a 6-year trip time. Results are also reported indicating the performance ramifications of meeting a reduced Earth entry interface velocity constraint.

Williams, R.↗

NASA NTRS2015

Design and Testing of a Small Inductive Pulsed Plasma Thruster

The design and testing of a small inductive pulsed plasma thruster (IPPT), shown in Fig. 1 with all the major subsystems required for a thruster of this kind are described. Thrust measurements and imaging of the device operated in rep-rated mode are presented to quantify the performance envelope of the device. The small IPPT described in this paper was designed to serve as a test-bed for the pulsed gas-valves and solid-state switches required for a IPPTs. A modular design approach was used to permit future modifications and upgrades. The thruster consists of the following sub-systems: a) a multi-turn, spiral-wound acceleration coil (27 cm o.d., 10 cm i.d.) driven by a 10 microFarad capacitor and switched with a high-voltage thyristor, b) a fast pulsed gas-valve, and c.) a glow-discharge pre-ionizer (PI) circuit. The acceleration-coil circuit may be operated at voltages up to 4 kV (the thyristor limit is 4.5 kV). The device may be operated at rep-rates up to 30 Hz with the present gas-valve. Thrust measurements and imaging of the device operated in rep-rated mode will be presented. The pre-ionizer consists of a 0.3 microFarad capacitor charged to 4 kV and connected to two annular stainless-steel electrodes bounding the area of the coil-face. The 4 kV potential is held across them and when the gas is puffed in over the coil, the PI circuit is completed, and a plasma is formed. Even at the less than optimal base-pressure in the chamber (approximately 5 × 10(exp −4) torr), the PI held-off the applied voltage, and only discharged upon command. For a capacitor charge of 2 kV the peak coil current is 4.1 kA, and during this pulse a very bright discharge (much brighter than from the PI alone) was observed (see Fig. 2). Interestingly, for discharges at this charge voltage the PI was not required as the current rise rate, dI/dt, of the coil itself was sufficient to ionize the gas.

Martin, Adam K.↗

NASA NTRS2019

Radiation Dose During Relativistic Electron Precipitation Events at the International Space Station

We provide a quantitative estimate of the radiation dose during relativistic electron precipitation (REP) events at the International Space Station (ISS). To this goal, we take advantage of the data collected by the CALorimetric Electron Telescope, the Monitor of All‐sky X‐ray Image, and the Space Environment Data Acquisition equipment‐Attached Payload. The three ISS detectors offer complementary REP observations, including energy spectra and flux directional information, during a period of approximately 2.5 years, from November 2015 to March 2018. We have identified 762 REP events during this period from which we obtain the distribution of radiation dose, relevant to extravehicular activities outside the ISS.

H. Ueno↗

NASA NTRS2022

EMIC-Wave Driven Electron Precipitation Observed by CALET on the International Space Station

We present an analysis of the relativistic electron precipitation (REP) event measured by the CALorimetric Electron Telescope (CALET) experiment on board the International Space Station during a relatively weak geomagnetic storm on 31 December 2016. CALET observations were compared with the measurements of the Van Allen Probes in the near-equatorial plane to investigate the global radiation belt dynamics and the REP drivers. The magnetically conjugate observations from these two missions demonstrate that the significant MeV precipitation directly detected by CALET in low-Earth orbit during a period of radiation belt depletion following the passage of a high-speed stream, was associated with dusk-side electromagnetic ion cyclotron (EMIC) waves. In addition, the combined wave, REP and trapped electron data suggest that the reported radiation belt depletion can be likely ascribed to the concomitant loss effects of EMIC wave scattering driving the atmospheric precipitation, as well as outward radial diffusion associated with magnetopause shadowing.

Radiation belts↗

DOE OSTI2022

Catalytic DNA Polymerization Can Be Expedited by Active Product Release**

Abstract The sequence‐specific hybridization of DNA facilitates its use as a building block for designer nanoscale structures and reaction networks that perform computations. However, the strong binding energy of Watson–Crick base pairing that underlies this specificity also causes the DNA dehybridization rate to depend sensitively on sequence length and temperature. This strong dependency imposes stringent constraints on the design of multi‐step DNA reactions. Here we show how an ATP‐dependent helicase, Rep‐X, can drive specific dehybridization reactions at rates independent of sequence length, removing the constraints of equilibrium on DNA hybridization and dehybridization. To illustrate how this new capacity can speed up designed DNA reaction networks, we show that Rep‐X extends the range of conditions where the primer exchange reaction, which catalytically adds a domain provided by a hairpin template to a DNA substrate, proceeds rapidly.

Moerman, Pepijn G.↗

DOE OSTI2022

Catalytic DNA Polymerization Can Be Expedited by Active Product Release**

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Projective Representations, Bogomolov Multiplier, and Their Applications in Physics

We present a pedagogical review of projective representations of finite groups and their physical applications in quantum many-body systems. Some of our physical results are new. We begin with a self-contained introduction to projective representations, highlighting the role of group cohomology, representation theory, and classification of irreducible projective representations. We then focus on a special subset of cohomology classes, known as the Bogomolov multiplier, which consists of cocycles that are symmetric on commuting pairs but remain nontrivial in group cohomology. Such cocycles have important physical implications: they characterize (1+1)D SPT phases that cannot be detected by string order parameters and give rise, upon gauging, to distinct gapped phases with completely broken non-invertible Rep(G) symmetry. We construct explicit lattice models for these phases and demonstrate how they are distinguished by the fusion rules of local order parameters. We show that a pair of completely broken Rep(G) SSB phases host nontrivial interface modes at their domain walls. As an example, we construct a lattice model where the ground state degeneracy on a ring increases from 32 without interfaces to 56 with interfaces.

Bogomolov multiplier↗

DOE OSTI2026

Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

Semi-empirical quantum-mechanical (QM) methods have become valuable tools for studying complex (bio)molecular systems due to their balance between computational efficiency and accuracy. A key aspect of these methods is their parameterization, which not only governs the reliability of the results but also provides an opportunity to enhance their overall performance. In our previous work [J. Phys. Chem. Lett., 2021, 11, 16], we advanced the third-order semi-empirical density functional tight-binding (DFTB3) method for computing multiple properties of small molecules by developing the machine learning (ML) potential NN rep to bridge the gap between DFTB3 electronic components and those of the hybrid DFT-PBE0 functional. To overcome the limitations of NN rep , we introduce the EquiDTB framework, which leverages physics-inspired equivariant neural networks (NN) to parameterize scalable and transferable many-body Δ TB potentials, replacing the standard pairwise DFTB repulsive potential. This advancement extends the applicability of our ML-corrected DFTB approach to larger molecules and non-covalent systems (including only C, N, O, and H atoms), going beyond the chemical space represented in the training QM datasets. The enhanced performance of EquiDTB over the standard TB methods is demonstrated by the accurate computation of the atomic forces of S66x8 molecular dimers, as well as their interaction energies. Moreover, EquiDTB can be effectively employed to explore the potential energy surfaces of large and flexible drug-like molecules—for example, to determine the minimum energy path between isomers, analyze structural transitions during dynamical simulations, compute vibrational modes, and investigate energetic rankings. The performance for single molecules slightly decreases when the DFTB electronic energy is reduced to first-order but remains superior to standard TB methods. Our work thus demonstrates that an optimal integration of an equivariant NN with QM datasets can advance the DFTB method while maintaining high efficiency, paving the way for reliable (bio)molecular simulations.

Medrano Sandonas, Leonardo [Technische Universität↗

DOE OSTI2022

Low Repetition-Rate, High-Resolution Femtosecond Transmission Electron Microscopy

Spatial and energy resolutions of state-of-the-art transmission electron microscopes (TEMs) have surpassed 50 pm and 5 meV. However, with respect to the time domain, even the fastest detectors combined with the brightest sources may only be able to reach the microsecond timescale. Thus, conventional methods are incapable of resolving myriad fundamental ultrafast (i.e., attosecond to picosecond) atomic-scale dynamics. The successful demonstration of femtosecond (fs) laser-based (LB) ultrafast transmission electron microscopy (UEM) nearly 20 years ago provided a means to span this nearly 10-order-of-magnitude temporal gap. While nanometer-picosecond UEM studies of dynamics are now well established, ultrafast Å-scale imaging has gone largely unrealized. Further, while instrument development has rightly been an emphasis, and while new modalities and uses of pulsed-beam TEM continue to emerge, the overall chemical and materials application space has been only modestly explored to date. In this Perspectives article, we argue that these apparent shortfalls can be attributed to a simple lack of data and detail. We speculate that present work and continued growth of the field will ultimately lead to the realization that Å-scale fs dynamics can indeed be imaged with minimally modified UEM instrumentation and with repetition rates (f rep ) below - and perhaps even well below - 1 MHz. We further argue that use of low f rep , whether for LB UEM or for chopped/bunched beams, significantly expands the accessible application space. Furthermore, this calls for systematically establishing modality-specific limits so that especially promising technologies can be pursued, thus ultimately facilitating broader adoption as individual instrument capabilities expand.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Structure and Function of REP34 Implicates Carboxypeptidase Activity in Francisella tularensis Host Cell Invasion

Francisella tularensis is the etiological agent of tularemia, or rabbit fever. Although F. tularensis is a recognized biothreat agent with broad and expanding geographical range, its mechanism of infection and environmental persistence remain poorly understood. Previously, we identified seven F. tularensis proteins that induce a rapid encystment phenotype (REP) in the free-living amoeba, Acanthamoeba castellanii. Encystment is essential to the pathogen's long term intracellular survival in the amoeba. Here, we characterize the cellular and molecular function of REP34, a REP protein with a mass of 34 kDa. A REP34 knock-out strain of F. tularensis has a reduced ability to both induce encystment in A. castellanii and invade human macrophages. We determined the crystal structure of REP34 to 2.05-Å resolution and demonstrate robust carboxypeptidase B-like activity for the enzyme. REP34 is a zinc-containing monomeric protein with close structural homology to the metallocarboxypeptidase family of peptidases. REP34 possesses a novel topology and substrate binding pocket that deviates from the canonical funnelin structure of carboxypeptidases, putatively resulting in a catalytic role for a conserved tyrosine and distinct S1' recognition site. Taken together, these results identify REP34 as an active carboxypeptidase, implicate the enzyme as a potential key F. tularensis effector protein, and may help elucidate a mechanistic understanding of F. tularensis infection of phagocytic cells.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Superfast quarks in deuterium

An extension to our previous study on nuclear parton distribution functions (nPDFs) [Kim and Miller, Phys. Rev. C 106, 055202 (2022)] using light-front holographic quantum chromodynamics (LFHQCD) [Brodsky, de Teramond, Dosch, and Erlich, Phys. Rep. 584, 1 (2015)] is presented. We apply the effects of nucleon motion inside the nucleus (Fermi motion/smearing) to deuterium, extending our deuterium nPDFs to the superfast , 𝑥 > 1, region [Frankfurt and Strikman, Phys. Rep. 160, 235 (1988)] where we estimate our results to be reasonable up to 𝑥 ≈ 1.7. We utilize four different deuteron wave functions (AV18, NijmI, NijmII, Nijm93). We find that our model, with no additional new parameters, shows very good agreement with deuterium EMC ratio data obtained from the BONuS experiment [Fenker et al., Nucl. Instrum. Methods Phys. Res. A 592, 273 (2008); Baillie et al. (CLAS Collaboration), Phys. Rev. Lett. 108, 142001 (2012); Phys. Rev. Lett. 108, 199902(E) (2012); Tkachenko et al. (CLAS Collaboration), Phys. Rev. C 89, 045206 (2014); Phys. Rev. C 90, 059901(E) (2014); Griffioen et al., Phys. Rev. C 92, 015211 (2015)]. Looking beyond conventional nuclear physics, and in anticipation of 12 GeV experiments at Jefferson Lab, we use a LFHQCD ansatz to predict the contributions of an exotic six-quark state to the deuteron 𝐹 2 structure function, 𝐹$^D_2$, in the superfast region. We find that the effects of using other potentials are about the same magnitude as six-quark effects—both have small effects in 𝑥 < 1, but have significant contributions at 𝑥 > 1.

Physics↗

DOE OSTI2020

Soil Environmental Conditions in the East River Watershed, CO

This dataset contains depth-resolved soil environmental variables collected between June 2016 and October 2018 from the Bradley Meadow site in the East River watershed. Datalogger output from 7 Campbell CS655 12 cm Soil Moisture and Temperature Sensors including depth, temperature, volumetric water content, and electrical conductivity are included in ‘BM_Merged_T_VWC_0616_10_18.csv’. Sensors were installed in June 2016. Data have been processed to merge raw sensor data and to remove additional variables. No additional QA/QC was performed. Measured pCO2 and depth are contained in ‘BM_EGM_WELL_CO2.csv’. These data represent gas well samples measured via injection using a PP Systems EGM-5 infra-red gas analyzer as described in the methods section. Measured CO2 surface flux values are contained in 'BM_EGM_Surface_Flux.csv'. These were measured using the PP Systems EGM-5 with the Soil Respiration Chamber attachment. Multiple reps are reported for each measurement including CO2 flux rate calculations using built-in linear and quadratic function methods, and average and standard deviations are taken across all reps and calculation methods.

54 ENVIRONMENTAL SCIENCES↗