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At least 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Intermediate-state-trapped mutants pinpoint G protein-coupled receptor conformational allostery

Understanding the roles of intermediate states in signaling is pivotal to unraveling the activation processes of G protein-coupled receptors (GPCRs). However, the field is still struggling to define these conformational states with sufficient resolution to study their individual functions. Here, we demonstrate the feasibility of enriching the populations of discrete states via conformation-biased mutants. These mutants adopt distinct distributions among five states that lie along the activation pathway of adenosine A 2A receptor (A 2A R), a class A GPCR. Our study reveals a structurally conserved cation-π lock between transmembrane helix VI (TM6) and Helix8 that regulates cytoplasmic cavity opening as a “gatekeeper” for G protein penetration. A GPCR activation process based on the well-discerned conformational states is thus proposed, allosterically micro-modulated by the cation-π lock and a previously well-defined ionic interaction between TM3 and TM6. Intermediate-state-trapped mutants will also provide useful information in relation to receptor-G protein signal transduction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

The structural basis for 2′−5′/3′−5′-cGAMP synthesis by cGAS

Abstract cGAS activates innate immune responses against cytosolic double-stranded DNA. Here, by determining crystal structures of cGAS at various reaction stages, we report a unifying catalytic mechanism. apo-cGAS assumes an array of inactive conformations and binds NTPs nonproductively. Dimerization-coupled double-stranded DNA-binding then affixes the active site into a rigid lock for productive metal•substrate binding. A web-like network of protein•NTP, intra-NTP, and inter-NTP interactions ensures the stepwise synthesis of 2′−5′/3′−5′-linked cGAMP while discriminating against noncognate NTPs and off-pathway intermediates. One divalent metal is sufficient for productive substrate binding, and capturing the second divalent metal is tightly coupled to nucleotide and linkage specificities, a process which manganese is preferred over magnesium by 100-fold. Additionally, we elucidate how mouse cGAS achieves more stringent NTP and linkage specificities than human cGAS. Together, our results reveal that an adaptable, yet precise lock-and-key-like mechanism underpins cGAS catalysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Strong spin-dephasing in a topological insulator-paramagnet heterostructure

The interface between magnetic materials and topological insulators can drive the formation of exotic phases of matter and enable functionality through the manipulation of the strong spin polarized transport. Here, we report that the transport processes that rely on strong spin-momentum locking in the topological insulator Bi 2 Se 3 are completely suppressed by scattering at a heterointerface with the kagome-lattice paramagnet, Co 7 Se 8 . Bi 2 Se 3 –Co 7 Se 8 –Bi 2 Se 3 trilayer heterostructures were grown using molecular beam epitaxy, where magnetotransport measurements revealed a substantial suppression of the weak antilocalization effect for Co 7 Se 8 at thicknesses as thin as a monolayer, indicating a strong dephasing mechanism. Bi 2- x Co x Se 3 films, in which Co is in a non-magnetic 3 + state, show weak antilocalization that survives to higher than x = 0.4, which, in comparison with the heterostructures, suggests that the unordered moments of Co 2+ act as a far stronger dephasing element. This work highlights several important points regarding coherent transport processes involving spin-momentum locking in topological insulator interfaces and how magnetic materials can be integrated with topological materials to realize both exotic phases and novel device functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Further modeling of q 95 windows for the suppression of edge localized modes by resonant magnetic perturbations in the DIII-D tokamak

An improved resonant plasma response model that more accurately captures the physics of the interaction between a tokamak plasma and a resonant magnetic perturbation (RMP) is developed. The model interpolates between the linear and the nonlinear response regimes and takes into account the fact that the slip-frequency is non-zero in the nonlinear regime. The improved model is incorporated into the extended perturbed equilibrium code (EPEC) toroidal asymptotic matching code. The modified EPEC code is used to investigate RMP-induced edge-localized-mode (ELM) suppression in DIII-D H-mode discharge #145380. Somewhat surprisingly, allowing for a finite slip-frequency (i.e., relaxing the so-called no-slip constraint) is found to only slightly facilitate the locking of driven magnetic island chains to the RMP, and, hence, to only slightly facilitate RMP-induced ELM suppression. This is true despite the fact that the nature of non-locked island solutions is radically different when the no-slip constraint is imposed compared to when it is relaxed (in the first case, the widths of the island chains driven at the rational surfaces pulsate, and in the second case, they remain steady). The previously obtained conclusion that the response of a typical H-mode tokamak plasma to an RMP cannot be accurately modeled by linear theory is confirmed. Here, the previously obtained conclusion that the best agreement between theory and observations is achieved by assuming that the natural frequencies of tearing modes, in the absence of the RMP, are determined by the local equilibrium E × B velocity is also confirmed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Resistive wall tearing mode disruptions in DIII-D and ITER tokamaks

Disruptions are a serious problem in tokamaks, in which thermal and magnetic energy confinement is lost. This paper uses data from the DIII-D experiment, theory, and simulations to demonstrate that resistive wall tearing modes (RWTMs) produce the thermal quench (TQ) in a typical locked mode shot. Analysis of the linear RWTM dispersion relation shows the parameter dependence of the growth rate, particularly on the resistive wall time. Linear simulations of the locked mode equilibrium show that it is unstable with a resistive wall and stable with an ideally conducting wall. Nonlinear simulations demonstrate that the RWTM grows to sufficient amplitude to cause a complete thermal quench. The RWTM growth time is proportional to the thermal quench time. Here, the nonlinearly saturated RWTM magnetic perturbation amplitude agrees with experimental measurements. The onset condition is that the q = 2 rational surface is sufficiently close to the resistive wall. Collectively, this identifies the RWTM as the cause of the TQ. In ITER, RWTMs will produce long TQ times compared to present-day experiments. ITER disruptions may be significantly more benign than previously predicted.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Nonlinear coupling of tearing modes in reversed field pinch plasmas with stepped pressure profiles

A theory of the three-wave coupling of triplets of tearing modes in toroidal pinches [i.e., either reversed field pinches (RFPs) or tokamaks] was proposed by R. Fitzpatrick [Phys. Plasmas 6, 1168 (1999)]. However, this theory only applies to toroidal pinches with negligible equilibrium plasma pressure gradients. Such a limitation is particularly inappropriate to RFPs. This paper generalizes the analysis of R. Fitzpatrick [Phys. Plasmas 6, 1168 (1999)] in order to take the equilibrium pressure gradient into account. However, for the sake of simplicity, a stepped pressure profile, rather than a continuous profile, is employed. In the limit in which the number of steps becomes very large, the results obtained from the generalized theory are presumably equivalent to those that would have been achieved using a continuous pressure profile. The generalized theory is used to investigate the formation of the characteristic toroidally localized pattern of phase-locked m = 1 and m = 0 tearing modes in RFP plasmas that is known as the “slinky” pattern. The incorporation of the equilibrium plasma pressure into the analysis is found to be of crucial importance when determining the properties of the pattern. This is the case because the plasma pressure controls the number of unstable m = 1 and m = 0 tearing modes, and also significantly affects the strength of three-wave coupling, as well as the phase relation between the phase-locked m = 1 and m = 0 modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Precision ultranarrow-linewidth resonance excitation (PURE) preparation of a molecular beam of nitric oxide molecules for inelastic scattering with argon

We recently reported a novel technique that utilizes narrow-linewidth lasers to selectively excite molecules into a pure quantum state with a well-resolved, tunable distribution of velocities [O. A. Krohn and D. W. Chandler, J. Phys. Chem. Lett. 15(50), 12455–12463 (2024)]. We refer to the preparation of molecules by this technique as precision ultranarrow-linewidth resonant excitation (PURE) preparation. Here, in this study, we pair this PURE preparation methodology with active frequency stabilization of the quantum cascade laser that drives the excitation. In doing so, highly velocity-resolved packets of molecules are possible, with the limitations of this velocity resolution set by the stability of the laser locking and the spectral linewidth of the transition. We show that side-of-fringe locking to a Doppler-broadened absorption spectrum of our target molecule is sufficiently stable for PURE preparation of molecules for long timescales (several hours) with highly resolved velocity spreads (σ < 3 m/s). To demonstrate the scientific utility of this new capability, we present differential cross sections from scattering between a neat molecular beam of argon and a velocity-selected beam of nitric oxide (NO) in a pure quantum state. We observe well-resolved quantum diffraction oscillations in the forward-scattered collisions as well as general trends consistent with prior characterized collisions of NO + Ar.

Krohn, Olivia A. [Sandia National Laboratories (SN↗
DOE OSTI2023

Integrated deep learning framework for unstable event identification and disruption prediction of tokamak plasmas

Abstract The ability to identify underlying disruption precursors is key to disruption avoidance. In this paper, we present an integrated deep learning (DL) based model that combines disruption prediction with the identification of several disruption precursors like rotating modes, locked modes, H-to-L back transitions and radiative collapses. The first part of our study demonstrates that the DL-based unstable event identifier trained on 160 manually labeled DIII-D shots can achieve, on average, 84% event identification rate of various frequent unstable events (like H-L back transition, locked mode, radiative collapse, rotating MHD mode, large sawtooth crash), and the trained identifier can be adapted to label unseen discharges, thus expanding the original manually labeled database. Based on these results, the integrated DL-based framework is developed using a combined database of manually labeled and automatically labeled DIII-D data, and it shows state-of-the-art (AUC = 0.940) disruption prediction and event identification abilities on DIII-D. Through cross-machine numerical disruption prediction studies using this new integrated model and leveraging the C-Mod, DIII-D, and EAST disruption warning databases, we demonstrate the improved cross-machine disruption prediction ability and extended warning time of the new model compared with a baseline predictor. In addition, the trained integrated model shows qualitatively good cross-machine event identification ability. Given a labeled dataset, the strategy presented in this paper, i.e. one that combines a disruption predictor with an event identifier module, can be applied to upgrade any neural network based disruption predictor. The results presented here inform possible development strategies of machine learning based disruption avoidance algorithms for future tokamaks and highlight the importance of building comprehensive databases with unstable event information on current machines.

plasma instabilities↗
DOE OSTI2025

An integer- N frequency synthesizer for flexible on-chip clock generation

A low-power integer-N frequency synthesizer for flexible on-chip clock generation has been designed in a 65 nm CMOS process. The circuit can be programmed to generate two independent low-jitter clocks between 30 MHz and 3 GHz that are locked to a 10–50 MHz reference input. The design uses a phase-locked loop (PLL) with a dual-tuned LC voltage-controlled oscillator (VCO), programmable feedback divider, and dual output dividers. The total power consumption from 1.2 V and 0.8 V supplies is 4.0 mW. In conclusion, experimental results confirm the functionality of the proposed synthesizer over a wide range of output frequencies.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Glide-resolved photoemission spectroscopy: Measuring topological invariants in nonsymmorphic space groups

The two classes of 3D, time-reversal-invariant insulators are known to subdivide into four classes in the presence of glide symmetry. Here, we extend this classification of insulators to include glide-symmetric Weyl metals and find a finer $\mathbb{Z}_4 ⊕\mathbb {Z}$ classification. We further elucidate the smoking-gun experimental signature of each class in the photoemission spectroscopy of surface states. Measuring the $\mathbb{Z}_4$ topological invariant by photoemission relies on identifying the glide representation of the initial Bloch state before photoexcitation—we show how this is accomplished with relativistic selection rules, combined with standard spectroscopic techniques to resolve both momentum and spin. In this work, our method relies on a spin-momentum locking that is characteristic of all glide-symmetric solids (inclusive of insulators and metals in trivial and topological categories). As an orthogonal application, given a glide-symmetric solid with an ideally symmetric surface, we may utilize this spin-momentum locking to generate a source of fully spin-polarized photoelectrons, which have diverse applications in solid-state spectroscopy. Our ab initio calculations predict Ba 2 Pb, stressed Na 3 Bi, and KHgSb to realize all three, nontrivial insulating phases in the $\mathbb{Z}_4$ classification.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Plasmons in Z 2 topological insulators

Here, we study plasmonic excitations in the Kane-Mele model, a two-dimensional Z 2 topological insulator on the honeycomb lattice, using the random phase approximation (RPA). In the topologically nontrivial phase, the model has conducting edge states that traverse the bulk energy gap and display spin-momentum locking. Such a state of matter is called the quantum spin hall (QSH) phase, which is robust against time-reversal (TR) invariant perturbations. We find that in the QSH phase, gapless spin-polarized plasmons can be excited on the edges of the system. The propagation of these plasmons is chiral for each individual spin component and shows spin-momentum locking for both spin components on the same edge. Moreover, we study the effect of external magnetic fields on the gapless edge plasmons. Specifically, out-of-plane magnetic fields delocalize edge plasmons propagating in one direction without affecting the other one, while an in-plane magnetic field can be applied to selectively excite a specific spin-plasmon branch with proper doping or gating to the system. Our findings may have potential applications in novel plasmonic and spintronic devices. We also investigate plasmons in the Kane-Mele model on a finite-sized diamond-shaped nanoflake and observe low-energy plasmons circulating the boundary of the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Charge order and superconductivity in a two-band model for infinite-layer nickelates

The recent discovery of superconductivity in infinite-layer nickelates has drawn considerable attention; however, a consensus on the fundamental building blocks and common ingredients necessary to understand and describe their ground states and emergent properties is lacking. A series of experimental and theoretical studies have suggested that an effective two-band Hubbard model with Ni 3d x 2 -y 2 and rare-earth (R) 5d character may describe the low-energy physics. In this report we study the ground state properties of this two-band model on four-leg cylinders using the density-matrix renormalization group (DMRG) technique to better grasp whether such a simple model can embody the essential physics. A key difference compared to single-band Hubbard materials is that the system is self-doped: even at overall half-filling, the R-band acts as an electron reservoir, hole-doping the Ni-layer and fundamentally altering the physics expected from an undoped antiferromagnet. On the four-leg cylinder, the ground state is consistent with a Luttinger liquid, with anti-phase modulations of the charge density in the Ni- and R-layers having corresponding wavevectors that lock together. Light hole doping away from 1/2 filling releases the locking between the Ni and the R charge modulations, as the electron density in the R-band decreases and eventually becomes exhausted at a hole doping concentration that depends sensitively on the effective splitting between the Ni and the R orbitals. The ground state of the doped system is consistent with a Luther-Emery liquid, possessing quasi-long-range superconducting correlations in the Ni layer, similar to the single-band Hubbard model. Our results are consistent with experimental observations and may help to reveal the microscopic mechanism for pairing and other emergent properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Astrophysical Equation-of-State Constraints on the Color-Superconducting Gap

We demonstrate that astrophysical constraints on the dense-matter equation of state place an upper bound on the color-superconducting gap in dense matter above the transition from nuclear matter to quark matter. Pairing effects in the color-flavor locked quark matter phase increase the pressure at high density, and if this effect is sufficiently large then the requirements of causality and mechanical stability make it impossible to reach such a pressure in a way that is consistent with what is known at lower densities. The intermediate-density equation of state is inferred by considering extensions of chiral effective field theory to neutron star densities, and conditioning these using current astrophysical observations of neutron star radius, maximum mass, and tidal deformability (PSR J⁢0348+0432, PSR J1624-2230, PSR J⁢0740+6620, GW170817). At baryon number chemical potential μ = 2.6 GeV we find a 95% upper limit on the color-flavor locked pairing gap Δ of 457 MeV using overly conservative assumptions and 216 MeV with more reasonable assumptions. Furthermore, this constraint may be strengthened by future astrophysical measurements as well as by future advances in high-density QCD calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Mean-field equation for phase-modulated optical parametric oscillator

The widely established techniques for the generation of ultrashort optical pulses rely on passive mode locking of lasers, with the output pulse duration and emission spectrum determined by the intrinsic lifetime of laser transition in the gain medium. Due to the instantaneous nature of nonlinear gain, optical parametric oscillators (OPOs) are capable of generating optical radiation in all timescales from continuous-wave (cw) to ultrashort femtosecond regime, if driven by laser pump sources in the corresponding time domain. In the ultrashort timescale, operation of OPOs conventionally relies on mode-locked pump lasers, with the concomitant disadvantages of large footprint and high cost. At the same time, the lack of gain storage mandates the use of synchronous pumping, resulting in increased complexity. In this paper, we present the concept of phase-modulated OPO driven by cw pump laser. The approach overcomes the traditional drawbacks of ultrafast OPOs, enabling femtosecond pulse generation without the need for synchronous pumping, resulting in a simplified, compact, and cost-effective architecture using cw input pump lasers. We derive a mean-field equation for a degenerate χ ( 2 ) OPO driven by a cw laser with intracavity electro-optic modulator (EOM), and also including dispersion compensation. The equation predicts the formation of stable femtosecond pulses ( < 200 fs ) , in both normal and anomalous dispersion regimes, with a controllable repetition rate determined by the frequency of the EOM. The remarkable functionality of the proposed scheme paves the way for the development of an alternative class of widely tunable coherent femtosecond light sources in both bulk and integrated format based on χ ( 2 ) OPOs using cw pump lasers. Published by the American Physical Society 2024

Sanchez, A. D. (ORCID:0000000327630339)↗
DOE OSTI2020

Decentralized Control of Cascaded H-Bridge Inverters for Medium-Voltage Grid Integration: Preprint

This paper introduces a fully decentralized control strategy that allows for individualized active and reactive power control of H-bridge inverters connected in series. After formulating a model of the system power flows, we outline a communications-free approach where each inverter can act on independent commands. Inverter-level feedback is accomplished locally via a measurement of current flowing through the stack. A key feature is the lack of any centralized control routines or phase-locked loop. In this framework, the reactive power control loops achieve voltage synchronization among the converters and the grid, and the active power control loops modulate the terminal voltage amplitudes that influence power delivery. Furthermore, pole placement via state feedback is used to ensure stability of voltage synchronization while also enabling tracking of bidirectional power commands. Simulations are presented to validate the proposed approach.

communication-free modular converter control↗
DOE OSTI2022

Design Power Control Strategies of Grid-Forming Inverters for Microgrid Application

This paper develops and compares two control schemes in the application control layer of a non-phase-locked loop (non-PLL) grid-forming (GFM) inverter to gain insight and understanding into how the two schemes affect the dynamic responses of GFM inverters and the transition operation of microgrids. The first scheme adopts power tracking based on an outer current loop in grid-connected mode and droop control in islanded mode, and the second uses droop control in both grid-connected and islanded modes. Analytical study is developed to compare the performance of these two strategies from various aspects, including fundamental differences, transition operation, power tracking, and P-Q capability with low point-of-common-coupling (PCC) voltages. Extensive simulation testing is carried out to validate the control performance of these two control strategies, and the simulation testing confirms the findings of the analytic study. Finally, the second strategy is recommended because of its superior control performance and ease of implementation. The analysis and results are useful in developing reliable control schemes for non-PLL GFM inverters because increasing numbers of inverters will work as non-PLL grid-forming sources in future grids because of their improved stability and reliability.

grid-forming↗
DOE OSTI2021

Compact, All-PM Fiber Integrated and Alignment-Free Ultrafast Yb:Fiber NALM Laser With Sub-Femtosecond Timing Jitter

We report a simple and compact design of a dispersion compensated mode-locked Yb:fiber oscillator based on a nonlinear amplifying loop mirror (NALM). The fully polarization maintaining (PM) fiber integrated laser features a chirped fiber Bragg grating (CFBG) for dispersion compensation and a fiber integrated compact non-reciprocal phase bias device, which is alignment-free. The main design parameters were determined by numerically simulating the pulse evolution in the oscillator and by analyzing their impact on the laser performance. Experimentally, we achieved an 88 fs compressed pulse duration with sub-fs timing jitter at 54 MHz repetition rate and 51 mW of output power with 5.5×10 -5 [20 Hz, 1 MHz] integrated relative intensity noise (RIN). Furthermore, we demonstrate tight phase-locking of the laser's carrier-envelope offset frequency ( fceo ) to a stable radio frequency (RF) reference and of one frequency comb tooth to a stable optical reference at 291 THz.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Design of a Non-PLL Grid-Forming Inverter for Smooth Microgrid Transition Operation

This paper develops a controller for a grid-forming (GFM) inverter that is capable of operating as either a GFM or grid-feeding source that can improve the operation of a microgrid during on-off grid transitions through use of a novel synchronization approach. Furthermore, this controller avoids use of a phase-locked loop (PLL) and the inverter is able to synchronize with the grid with self-generated voltage and frequency. This prevents the inverter from replicating any grid voltage disturbances in its output—a key disadvantage of many grid-connected inverters that use a PLL. To enable fast synchronization, active synchronization control is adopted both during inverter start-up and microgrid reconnection operation and a method of coordinating synchronization of the inverter with a microgrid controller and grid interconnection circuit breaker is presented. Simulation results for multiple microgrid transition operations and unplanned islanding events demonstrate that the developed non-PLL grid-connected GFM inverter controller and synchronization method are effective in synchronizing the inverter and microgrid to the grid, avoiding phase jump during microgrid transition operation, and improving microgrid islanding transients versus a traditional configuration.

27 ARPA - Advanced Research Projects Agency-Energy↗