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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Impacts of generalized uncertainty principle on black hole thermodynamics and Salecker-Wigner inequalities

We investigate the impacts of Generalized Uncertainty Principle (GUP) proposed by some approaches to quantum gravity such as String Theory and Doubly Special Relativity on black hole thermodynamics and Salecker-Wigner inequalities. Utilizing Heisenberg uncertainty principle, the Hawking temperature, Bekenstein entropy, specific heat, emission rate and decay time are calculated. As the evaporation entirely eats up the black hole mass, the specific heat vanishes and the temperature approaches infinity with an infinite radiation rate. It is found that the GUP approach prevents the black hole from the entire evaporation. It implies the existence of remnants at which the specific heat vanishes. The same role is played by the Heisenberg uncertainty principle in constructing the hydrogen atom. We discuss how the linear GUP approach solves the entire-evaporation-problem. Furthermore, the black hole lifetime can be estimated using another approach; the Salecker-Wigner inequalities. Assuming that the quantum position uncertainty is limited to the minimum wavelength of measuring signal, Wigner second inequality can be obtained. If the spread of quantum clock is limited to some minimum value, then the modified black hole lifetime can be deduced. Based on linear GUP approach, the resulting lifetime difference depends on black hole relative mass and the difference between black hole mass with and without GUP is not negligible.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Compact ultrastable laser system for spectroscopy of {sup 2}S{sub 1/2} → {sup 2}D{sub 3/2} quadrupole transition in {sup 171}Yb{sup +} ion

We report the results of studying a compact laser system designed for manipulating a quantum state of the optical qubit based on the {sup 2}S{sub 1/2} → {sup 2}D{sub 3/2} quadrupole transition in the {sup 171}Yb{sup +} ion at a wavelength of 435.5 nm. An emission power of the laser system reaches 500 μW at λ = 435.5 nm and the relative frequency instability of at most 3 × 10{sup −15} is achieved at averaging intervals from 0.5 to 50 s with a subtracted linear frequency drift. The compactness of the developed system makes it possible to employ it in transportable systems including optical clocks. (laser spectroscopy)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Reconstruction of the time-dependent electronic wave packet arising from molecular autoionization

Autoionizing resonances are paradigmatic examples of two-path wave interferences between direct photoionization, which takes a few attoseconds, and ionization via quasi-bound states, which takes much longer. Time-resolving the evolution of these interferences has been a long-standing goal, achieved recently in the helium atom owing to progress in attosecond technologies. However, already for the hydrogen molecule, similar time imaging has remained beyond reach due to the complex interplay between fast nuclear and electronic motions. We show how vibrationally resolved photoelectron spectra of H2 allow one to reconstruct the associated subfemtosecond autoionization dynamics by using the ultrafast nuclear dynamics as an internal clock, thus forgoing ultrashort pulses. Our procedure should be general for autoionization dynamics in molecules containing light nuclei, which are ubiquitous in chemistry and biology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

A rubidium clock for SEEK-TALK

The development of a tactical rubidium frequency standard (TRFS) for the SEEK-TALK program is discussed. This effort, which is entering the prototype stage, is directed toward the establishment of a production capability for miniature rubidium clocks of medium stability capable of fast warmup and extreme ruggedness for military avionics applications. The overall unit consists of an ultraminiature physics package and four plug-in circuit boards inside a 2 1/2-inch square by 4-inch box. This size is achieved without the extensive use of hybrid microcircuitry, yet is believed to be the smallest atomic frequency standard yet developed.

Riley, W. J.↗
NASA NTRS1996

Application of Millisecond Pulsar Timing to the Long-Term Stability of Clock Ensembles

We review the application of millisecond pulsars to define a precise long-term standard and positional reference system in a nearly inertial reference frame. We quantify the current timing precision of the best millisecond pulsars and define the required precise time and time interval (PTTI) accuracy and stability to enable time transfer via pulsars. Pulsars may prove useful as independent standards to examine decade-long timing stability and provide an independent natural system within which to calibrate any new, perhaps vastly improved atomic time scale. Since pulsar stability appears to be related to the lifetime of the pulsar, the new millisecond pulsar J173+0747 is projected to have a 100-day accuracy equivalent to a single HP5071 cesium standard. Over the last five years, dozens of new millisecond pulsars have been discovered. A few of the new millisecond pulsars may have even better timing properties.

Foster, Roger S.↗
NASA NTRS1995

Time activities at the BIPM

The generation and dissemination of International Atomic Time, TAI, and of Coordinated Universal Time, UTC, are explicitly mentioned in the list of the principal tasks of the BIPM, recalled in the Comptes Rendus of the 18th Conference Generale des Poids et Mesures, in 1987. These tasks are fulfilled by the BIPM Time Section, thanks to international cooperation with national timing centers, which maintain, under metrological conditions, the clocks used to generate TAI. Besides the current work of data collection and processing, research activities are carried out in order to adapt the computation of TAI to the most recent improvements occurring in the time and frequency domains. Studies concerning the application of general relativity and pulsar timing to time metrology are also actively pursued. This paper summarizes the work done in all these fields and outlines future projects.

Thomas, Claudine↗
DOE OSTI2017

Reactive Intermediates or Inert Graphene? Temperature- and Pressure-Determined Evolution of Carbon in the CH 4 –Ni(111) System

Atomic-level identification of carbon intermediates under reaction conditions is essential for carbon-related heterogeneous catalysis. Using the in operando technique of near-ambient-pressure X-ray photoelectron spectroscopy, we have identified in this paper various carbon intermediates during the thermal decomposition of CH 4 on Ni(111), including *CH, *C 1 /Ni 3 C, *C n (n ≥ 2), and clock-reconstructed Ni 2 C at different temperature regions (300–900 K). These “reactive” carbon precursors can either react with probing molecules such as O 2 at room temperature or be etched away by CH 4 . They can also develop into graphene flakes under controlled conditions: a temperature between 800 and 900 K and a suitable CH 4 pressure (10 –3 –10 –1 mbar, depending on temperature). The growth rate of graphene is significantly restrained at higher CH 4 pressures, due to the accelerated etching of its carbon precursors. The identification of in operando carbon intermediates and the control of their evolution have great potential in designing heterogeneous catalysts for the direct conversion of methane. Finally, the observed carbon aggregation/etching equilibrium reveals an underlying mechanism in coking prevention and in the fabrication of large-area single-crystal graphene, where the suppression of seeding density and etching up of small grains are required.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Symmetry breaking in an extended O(2) model

Motivated by attempts to quantum simulate lattice models with continuous Abelian symmetries using discrete approximations, we study an extended-O(2) model in two dimensions that differs from the ordinary O(2) model by the addition of an explicit symmetry breaking term − h q cos ( q φ ) . Its coupling h q allows to smoothly interpolate between the O(2) model ( h q = 0 ) and a q -state clock model ( h q → ∞ ). In the latter case, a q -state clock model can also be defined for noninteger values of q . Thus, such a limit can also be considered as an analytic continuation of an ordinary q -state clock model to noninteger q . In previous work, we established the phase diagram for noninteger q in the infinite coupling limit ( h q → ∞ ). We showed that there is a second-order phase transition at low temperature and a crossover at high temperature. In this work, we seek to establish the phase diagram at finite values of the coupling using Monte Carlo and tensor methods. We show that for noninteger q , the second-order phase transition at low temperature and crossover at high temperature persist to finite coupling. For integer q = 2 , 3, 4, we know there is a second-order phase transition at infinite coupling (i.e. the well-known clock models). At finite coupling, we find that the critical exponents for q = 3 , 4 vary with the coupling, and for q = 4 the transition may turn into a Berezinskii-Kosterlitz-Thouless transition at small coupling. We comment on the similarities and differences of the phase diagrams with those of quantum simulators of the Abelian-Higgs model based on ladder-shaped arrays of Rydberg atoms. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2020

Vanadium spin qubits as telecom quantum emitters in silicon carbide

Solid-state quantum emitters with spin registers are promising platforms for quantum communication, yet few emit in the narrow telecom band necessary for low-loss fiber networks. Here, we create and isolate near-surface single vanadium dopants in silicon carbide (SiC) with stable and narrow emission in the O band, with brightness allowing cavity-free detection in a wafer-scale material. In vanadium ensembles, we characterize the complex d 1 orbital physics in all five available sites in 4H-SiC and 6H-SiC. The optical transitions are sensitive to mass shifts from local silicon and carbon isotopes, enabling optically resolved nuclear spin registers. Optically detected magnetic resonance in the ground and excited orbital states reveals a variety of hyperfine interactions with the vanadium nuclear spin and clock transitions for quantum memories. Last, we demonstrate coherent quantum control of the spin state. These results provide a path for telecom emitters in the solid state for quantum applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1990

The physics of the environmental sensitivity of rubidium gas cell atomic frequency standards

Environmental sensitivity is often the most significant limitation to the practical stability of rubidium frequency standards (RFS). For example, temperature sensitivity can cause a rapid frequency change of several parts in 10(exp 10) for a tactical RFS that has an aging of only 1 times 10(exp -11)/month. Other important environmental factors are barometric pressure, vibration, magnetic field, and nuclear radiation. The physical mechanisms that lie behind these environmental sensitivities are considered. These physical mechanisms are related to the performance of actual rubidium frequency standards. For the user of these devices, a better knowledge of the causes for Rb clock instability will aid in their testing and proper application. For the time frequency specialist, a review of these factors may prove useful toward improving RFS design. Some of the RFS environmental sensitivities are due to simple physical mechanisms like the effect of dc magnetic field on the Rb hyperfine resonance frequency. For these, an analysis can be based on physical principles and straightforward design factors. Other environment factors, like temperature sensitivity, are more complex combinations of many effects, both physical and practical, and the analysis often takes the form of an error budget with large unit-to-unit variations. Today's rubidium frequency standards span a wide performance range from small, inexpensive units with pp 10(exp 10) error budgets to larger, higher performance versions offering pp 10(exp 10) stabilities. For both extremes, however, environmental sensitivity can be the most significant performance limitation. Why this is the case and how to make improvements are discussed.

Riley, William J.↗
DOE OSTI2020

Deep learning for NLTE spectral opacities

Computer simulations of high energy density science experiments are computationally challenging, consisting of multiple physics calculations including radiation transport, hydrodynamics, atomic physics, nuclear reactions, laser–plasma interactions, and more. To simulate inertial confinement fusion (ICF) experiments at high fidelity, each of these physics calculations should be as detailed as possible. However, this quickly becomes too computationally expensive even for modern supercomputers, and thus many simplifying assumptions are made to reduce the required computational time. Much of the research has focused on acceleration techniques for the various packages in multiphysics codes. In this work, we explore a novel method for accelerating physics packages via machine learning. The non-local thermodynamic equilibrium (NLTE) package is one of the most expensive calculations in the simulations of indirect drive inertial confinement fusion, taking several tens of percent of the total wall clock time. We explore the use of machine learning to accelerate this package, by essentially replacing the physics calculation with a deep neural network that has been trained to emulate the physics code. Overall, we demonstrate the feasibility of this approach on a simple problem and perform a side-by-side comparison of the physics calculation and the neural network inline in an ICF Hohlraum simulation. We show that the neural network achieves a 10× speed up in NLTE computational time while achieving good agreement with the physics code for several quantities of interest.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1979

The frequency and time standard and activities at the Beijing Institute of Radio Metrology and Measurements

Three kinds of frequency measuring systems are described: frequency comparison, phase comparison, and time comparison. With the help of the portable cesium clock in determining the time delay between two stations, a time synchronization, experiment was conducted using the Symphonie satellite. A result with an accuracy of 30 ns and an uncertainty of about 10 ns was obtained. Another experiment, applying the television pulse technique for time synchronization, yielded a result with an error of about 0.5 mu s in 24 hours. In order to measure the short term frequency stability of crystal oscillators or other frequency sources, a rubidium maser atomic frequency standard was developed as well as a short term stability measuring system.

Wang, H. T.↗
DOE OSTI2023

Electron-nuclear decoupling at a spin clock transition

The ability to design quantum systems that decouple from environmental noise sources is highly desirable for development of quantum technologies with optimal coherence. The chemical tunability of electronic states in magnetic molecules combined with advanced electron spin resonance techniques provides excellent opportunities to address this problem. Indeed, so-called clock transitions have been shown to protect molecular spin qubits from magnetic noise, giving rise to significantly enhanced coherence. Here we conduct a spectroscopic and computational investigation of this physics, focusing on the role of the nuclear bath. Away from the clock transition, linear coupling to the nuclear degrees of freedom causes a modulation and decay of electronic coherence, as quantified via electron spin echo signals generated experimentally and in silico. Meanwhile, the effective hyperfine interaction vanishes at the clock transition, resulting in electron-nuclear decoupling and an absence of quantum information leakage to the nuclear bath, providing opportunities to characterize other decoherence sources.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2021

Clocking Auger electrons

Intense X-ray free-electron lasers (XFELs) can rapidly excite matter, leaving it in inherently unstable states that decay on femtosecond timescales. The relaxation occurs primarily via Auger emission, so excited-state observations are constrained by Auger decay. In situ measurement of this process is therefore crucial, yet it has thus far remained elusive in XFELs owing to inherent timing and phase jitter, which can be orders of magnitude larger than the timescale of Auger decay. Here we develop an approach termed ‘self-referenced attosecond streaking’ that provides subfemtosecond resolution in spite of jitter, enabling time-domain measurement of the delay between photoemission and Auger emission in atomic neon excited by intense, femtosecond pulses from an XFEL. FUrthermore, using a fully quantum-mechanical description that treats the ionization, core-hole formation and Auger emission as a single process, the observed delay yields an Auger decay lifetime of \(2.2_{ - 0.3}^{ + 0.2}\) fs for the KLL decay channel.

47 OTHER INSTRUMENTATION↗
NASA NTRS1993

An ensemble pulsar time

Millisecond pulsars are galactic objects that exhibit a very stable spinning period. Several tens of these celestial clocks have now been discovered, which opens the possibility that an average time scale may be deduced through a long-term stability algorithm. Such an ensemble average makes it possible to reduce the level of the instabilities originating from the pulsars or from other sources of noise, which are unknown but independent. The basis for such an algorithm is presented and applied to real pulsar data. It is shown that pulsar time could shortly become more stable than the present atomic time, for averaging times of a few years. Pulsar time can also be used as a flywheel to maintain the accuracy of atomic time in case of temporary failure of the primary standards, or to transfer the improved accuracy of future standards back to the present.

Petit, Gerard↗
DOE OSTI2022

Symmetry Breaking in an Extended-O(2) Model

Motivated by attempts to quantum simulate lattice models with continuous Abelian symmetries using discrete approximations, we consider an extended-O(2) model that differs from the ordinary O(2) model by an explicit symmetry breaking term. Its coupling allows to smoothly interpolate between the O(2) model (zero coupling) and a $q$-state clock model (infinite coupling). In the latter case, a $q$-state clock model can also be defined for non-integer values of $q$. Thus, such a limit can also be considered as an analytic continuation of an ordinary $q$-state clock model to non-integer $q$. The phase diagram of the extended-O(2) model in the infinite coupling limit was established in our previous work, where it was shown that for non-integer $q$, there is a second-order phase transition at low temperature and a crossover at high temperature. In this work, we investigate the model at finite values of the coupling using Monte Carlo and tensor methods. The results may be relevant for configurable Rydberg-atom arrays.

Hostetler, Leon↗
DOE OSTI2014

Misalignment-free signal propagation in nanomagnet arrays and logic gates with 45°-clocking field

A key obstacle for the application of Magnetic Quantum-dot Cellular Automata (MQCA) is the misalignment of clocking field, which results in low stability for both signal propagations within nanomagnet array and logic operation in majority gates. Here, we demonstrate that a reversal clocking field applied at 45° off the hard axis, with progressively reduced amplitude, applied to a shape-tuned nanomagnet array fabricated by e-beam lithography, helps intrinsically eliminate the misalignment sensitivity of the elements and results in correct signal propagation. Further, least reversal steps and reduced field amplitude was required owing to the 45°-clocking field. This clocking field was also tested for majority gates (OR function) and characterized by Magnetic Force Microscopy demonstrating correct output. This novel design provides high stability for signal propagation and logic operation of MQCA and potentially paves way for its application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

HydraGNN_Predictive_GFM_2024 - Ensemble of predictive graph foundation models for ground state atomistic materials modeling

We provide the ensemble of fifteen pre-trained graph foundation models (GFMs) for atomistic materials modeling applications. Each one of the fifteen GFMs has been trained on five open-source datasets that (once aggregated) amount to over 154 million atomistic structures, which cover over two-thirds of the natural elements of the periodic table and that comprises a broad set of organic and inorganic compounds. This vast set of atomistic structures comprises ground state configurations that are dynamically stable (i.e., equilibrated structures with atomic forces approximately close to zero values) as well as dynamically unstable structures (i.e., non-equilibrium structures with non-negligible non-zero values of atomic forces). The ensemble of datasets aggregated does NOT include excited states. The datasets have been curated to remove atomistic structures with spectral norm of the force tensor above 100 eV/angstrom. Moreover, a linear term of the energy was computed for each dataset using a linear regression model that uses the chemical concentration of each natural element as regressor. The linear term predicted by the linear regression model has been subtracted from each original energy value to perform a re-alignment of the energy values across different electronic structures approximation theories performed to generate the diverse multi-source, multi-fidelity datasets. The folder "ADIOS_files" contains the set of pre-processed datasets in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used for the development and training of GFMs in this work. The "ADIOS_files" directory contains 6 sub-directories named as follows: - ANI1x-v3.bp - MPTrj-v3.bp - OC2020-20M-v3.bp - OC2020-v3.bp - OC2022-v3.bp - qm7x-v3.bp Each sub-directory contains the pre-processed datasets converted in Adaptable I/O System (ADIOS) format (https://www.exascaleproject.org/research-project/adios/) that have been used to the development, training, and performance testing of the ensemble go predictive graph foundation models. Each GFM was developed using HydraGNN (https://github.com/ORNL/HydraGNN) as underlying graph neural network (GNN) architecture. The multi-task learning (MTL) capability of HydraGNN was used to simultaneously train the GFMs on labeled values for direct predictions of energy (a total system property of an atomistic structure that measures the chemical stability) and atomic forces (an atomic level property of an atomistic structure that measures the dynamical stability). The hyper parameters of the GFM have been tuned using scalable hyperparameter optimization (HPO) algorithms implemented in the software DeepHyper (https://github.com/deephyper/deephyper). The pre-training of each HPO trial was performed using distributed data parallelism (DDP) to scale the training across 128 compute nodes of the exascale OLCF supercomputer Frontier. Each HPO trial was trained only for 10 epochs and an early stopping was performed to avoid wasting significant computational resources on GNN architectures that were clearly underperforming. For each HPO trial, the 'omnistat' tool developed by (AMD Research - Advanced Micro Device) was used to measure the total energy consumption in kWh. The ensemble of GFMs was obtained by selecting the fifteen best performing HPO trials. Four models have been selected for their clear advantage in accuracy, and these are the GFMs with IDs 229, 156, 147, 260. Additional eleven models have been selected based on judicious balance between accuracy and energy consumption needed for training, and these are the GFMs with IDs 165, 78, 137, 1, 175, 171, 181, 67, 179, 167, 351. Each selected GFM of the ensemble was continued to cumulate a total of at most 30 epochs. In some cases, the total number of epochs actually performed was les than 30 due to two combined factors: (1) the size of the GFM (i.e., the number of model parameters to train) and (2) the total wall-clock time for which the computational resources could be allocated on OLCF-Frontier. The "Ensemble_of_models" directory contains 15 sub-directories named as follows: - gfm_0.229 - gfm_0.156 - gfm_0.147 - gfm_0.260 - gfm_0.165 - gfm_0.78 - gfm_0.137 - gfm_0.1 - gfm_0.175 - gfm_0.171 - gfm_0.181 - gfm_0.67 - gfm_0.179 - gfm_0.167 - gfm_0.351 Each one of these sub-directories refers to one of the fifteen HPO trials that have been selected to continue the pre-training with at most 30 epochs. With each sub-directory associated with a specific HPO trial, the following files can be found: - config.json: file for argument parsing to develop and train an HydraGNN architecture - gfm_0.ID_epoch_N.pk: file with model parameters for HPO ID trial after N epochs of training The ensemble of fifteen GFM architectures was used for (1) ensemble averaging to stabilize the predictions of energy and atomic forces after pre-training for post-processing analysis and (2) ensemble uncertainty quantification (UQ). The code used to develop, pre-train, and load the pre-trained models for post-processing analysis is available on the ORNL-GitHub at the following link: https://github.com/ORNL/HydraGNN/tree/Predictive_GFM_2024

36 MATERIALS SCIENCE↗