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At least 1,315 records · Page 73

Quantization: History and problems

In this work, I explore the concept of quantization as a mapping from classical phase space functions to quantum operators. I discuss the early history of this notion of quantization with emphasis on the works of Schrödinger and Dirac, and how quantization fit into their overall understanding of quantum theory in the 1920's. Dirac, in particular, proposed a quantization map which should satisfy certain properties, including the property that quantum commutators should be related to classical Poisson brackets in a particular way. However, in 1946, Groenewold proved that Dirac's mapping was inconsistent, making the problem of defining a rigorous quantization map more elusive than originally expected. This result, known as the Groenewold-Van Hove theorem, is not often discussed in physics texts, but here I will give an account of the theorem and what it means for potential ``corrections” to Dirac's scheme. Other proposals for quantization have arisen over the years, the first major one being that of Weyl in 1927, which was later developed by many, including Groenewold, and which has since become known as Weyl Quantization in the mathematical literature. Another, known as Geometric Quantization, formulates quantization in differential-geometric terms by appealing to the character of classical phase spaces as symplectic manifolds; this approach began with the work of Souriau, Kostant, and Kirillov in the 1960's. I will describe these proposals for quantization and comment on their relation to Dirac's original program. Along the way, the problem of operator ordering and of quantizing in curvilinear coordinates will be described, since these are natural questions that immediately present themselves when thinking about quantization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A Boosted Critical Temperature of 166 K in Superconducting D 3 S Synthesized from Elemental Sulfur and Hydrogen

The discovery of superconductivity in H 3 S at 203 K marked an advance towards room-temperature superconductivity and demonstrated the potential of H-dominated compounds to possess a high critical temperature (T c ). There have been numerous reports of the H-S system over the last five years, but important questions remain unanswered. It is crucial to verify whether the Tc was determined correctly for samples prepared from compressed H 2 S, since they are inevitably contaminated with H-depleted byproducts. Here, we prepare stoichiometric H 3 S by direct in situ synthesis from elemental S and excess H 2 . The Im$_\bar{3}$ m phase of D 3 S samples exhibits a T c significantly higher than previously reported values (ca. 150 K), reaching a maximum T c of 166 K at 157 GPa. Furthermore, we confirm that the sharp decrease in T c below 150 GPa is accompanied by continuous rhombohedral structural distortions and demonstrate that the Cccm phase is nonmetallic, with molecular H 2 units in the crystal structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The METLIN small molecule dataset for machine learning-based retention time prediction

Machine learning has been extensively applied in small molecule analysis to predict a wide range of molecular properties and processes including mass spectrometry fragmentation or chromatographic retention time. However, current approaches for retention time prediction lack sufficient accuracy due to limited available experimental data. Here we introduce the METLIN small molecule retention time (SMRT) dataset, an experimentally acquired reverse-phase chromatography retention time dataset covering up to 80,038 small molecules. To demonstrate the utility of this dataset, we deployed a deep learning model for retention time prediction applied to small molecule annotation. Results showed that in 70% of the cases, the correct molecular identity was ranked among the top 3 candidates based on their predicted retention time. We anticipate that this dataset will enable the community to apply machine learning or first principles strategies to generate better models for retention time prediction.

59 BASIC BIOLOGICAL SCIENCES↗

Analytic and numerical vibronic spectra from quasi-classical trajectory ensembles

The truncated Wigner approximation to quantum dynamics in phase space is explored in the context of computing vibronic line shapes for monomer linear optical spectra. We consider multiple model potential forms including a shifted harmonic oscillator with both equal and unequal frequencies on the ground and excited state potentials as well as a shifted Morse potential model. For the equal-frequency shifted harmonic oscillator model, we derive an analytic expression for the exact vibronic line shape that emphasizes the importance of using a quantum mechanical distribution of phase space initial conditions. For the unequal-frequency shifted harmonic oscillator model, we are no longer able to obtain an exact expression for the vibronic line shape in terms of independent deterministic classical trajectories. We show how one can rigorously account for corrections to the truncated Wigner approximation through nonlinear responses of the line shape function to momentum fluctuations along a classical trajectory and demonstrate the qualitative improvement in the resulting spectrum when the leading-order quantum correction is included. Finally, we numerically simulate absorption spectra of a highly anharmonic shifted Morse potential model. We find that, while finite quantization and the dissociation limit are captured with reasonable accuracy, there is a qualitative breakdown of the quasi-classical trajectory ensemble’s ability to describe the vibronic line shape when the relative shift in Morse potentials becomes large. The work presented here provides clarity on the origin of unphysical negative features known to contaminate absorption spectra computed with quasi-classical trajectory ensembles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Interaction-induced velocity renormalization in magic-angle twisted multilayer graphene

Abstract Twistronics heterostructures provide a novel route to control the electronic single particle velocity and thereby to engineer strong effective interactions. Here we show that the reverse may also hold, i.e. that these interactions strongly renormalize the band structure. We demonstrate this mechanism for alternating-twist magic-angle three- and four-layer graphene at charge neutrality and in the vicinity of a phase transition which can be described by an Ising Gross-Neveu critical point corresponding, e.g. to the onset of valley Hall or Hall order. While the non-interacting model displays massless Dirac excitations with strongly different velocities, we show that interaction corrections make them equal in the infrared. However, the renormalization group flow of the velocities and of the coupling to the critical bosonic mode is strongly non-monotonic and dominated by the vicinity of a repulsive fixed point. We predict experimental consequences of this theory for tunneling and transport experiments and discuss the expected behavior at other quantum critical points, including those corresponding to intervalley coherent ordering.

Classen, Laura↗

R&D toward a proof-of-principle experiment on optical stochastic cooling at the Fermilab’s IOTA ring

The stochastic-cooling method was invented in the late 70s and played a key role in the accumulation of intense beams of antiprotons for a head-on collision with counter rotating proton beams at 500 GeV in the Super Proton Synchrotron (SPS) at CERN. Such an improvement led to the discovery of the W and Z bosons in 1983. In brief, stochastic cooling relies on recording information (position) associated with short longitudinal slices within the bunch. The radiation is encoded on a radiofrequency (RF) signal, manipulated and used to correct the bunch slices at a later time.The repetitive correction is applied as the beam circulates in the ring ultimately cool the beam.Stochastic cooling has been successfully implemented in several machines for particle cooling and accumulation. Cooling of bunched beams in proton-(anti)proton colliders was challenging due to the high phase-space density of the bunches but was recently demonstrated at the Relativistic Heavy Ion Collider (RHIC).

43 PARTICLE ACCELERATORS↗

Intense soft X-ray flux from Hercules X-1

An intense flux of soft X-rays extending up to at least 1 keV has been observed from Her X-1. If the soft X-ray intensity is corrected for interstellar absorption, the luminosity in the 0.16-0.28 keV band is comparable to that from 2 to 10 keV. This confirms the conclusion of Shulman et al. (1975) but extends the detection of this flux to higher energy, a different binary phase, and to a time 19 periods later in the 35-day cycle. These observations suggest that this soft emission may be a stable feature in the spectrum of Her X-1 during its X-ray on state. It appears difficult to account for the high soft X-ray luminosity by current simple models of the X-ray source.

Catura, R. C.↗

Updated Z-corrections for 64-m DSS ground station delay calibrations

New Z-corrections which resulted from recent translator path delay calibrations made at DSS 14, 43, and 63 with newly developed DSN Portable Zero Delay Assemblies are presented. The test results indicate a successful transfer of technology from development to implementation and to the operations phase.

Otoshi, T. Y.↗

SSBUV and NOAA-11 SBUV/2 Solar Variability Measurements

The Shuttle SBUV (SSBUV) and NOAA-11 SBUV/2 instruments measured solar spectral UV irradiance during the maximum and declining phase of solar cycle 22. The SSB UV data accurately represent the absolute solar UV irradiance between 200-405 nm, and also show the long-term variations during eight flights between October 1989 and January 1996. These data have been used to correct long-term sensitivity changes in the NOAA-11 SBUV/2 data, which provide a near-daily record of solar UV variations over the 170-400 nm region between December 1988 and October 1994. The NOAA-11 data demonstrate the evolution of short-term solar UV activity during solar cycle 22.

DeLand, Matthew T.↗

SSBUV and NOAA-11 SBUV/2 Solar Variability Measurements

The Shuttle Solar Backscatter Ultraviolet (SSBUV) and NOAA-II Solar Backscatter Ultraviolet/2 (SBUV/2) instruments measured solar spectral Ultraviolet (UV) irradiance during the maximum and declining phase of solar cycle 22. The SSB UV data accurately represent the absolute solar UV irradiance between 200-405 nanometers, and also show the long-term variations during eight flights between October 1989 and January, 1996. These data have been used to correct long-term sensitivity changes in the NOAA-II SBUV/2 data, which provide a near-daily record of solar UV variations over the 170 to 400 nanometer region between December 1988 and October 1994. The NOAA-II data demonstrate the evolution of short-term solar UV activity during solar cycle 22.

Deland, Matthew T.↗

Local oscillator distribution using a geostationary satellite

A satellite communication system suitable for distribution of local oscillator reference signals for a widely spaced microwave array has been developed and tested experimentally. The system uses a round-trip correction method of the satellite This experiment was carried out using Telstar-5, a commercial Ku-band geostationary satellite. For this initial experiment, both earth stations were located at the same site to facilitate direct comparison of the received signals. The local oscillator reference frequency was chosen to be 300MHz and was sent as the difference between two Ku-band tones. The residual error after applying the round trip correction has been measured to be better than 3psec for integration times ranging from 1 to 2000 seconds. For integration times greater then 500 seconds, the system outperforms a pair of hydrogen masers with the limitation believed to be ground-based equipment phase stability. The idea of distributing local oscillators using a geostationary satellite is not new; several researchers experimented with this technique in the eighties, but the achieved accuracy was 3 to 100 times worse than the present results. Since substantially and the performance of various components has improved. An important factor is the leasing of small amounts of satellite communication bandwidth. We lease three 100kHz bands at approximately one hundredth the cost of a full 36 MHz transponder. Further tests of the system using terminal separated by large distances and comparison tests with two hydrogen masers and radio interferometry is needed.

hydrogen maser↗

Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen

The production of hydrogen fuels, via water splitting, is of practical relevance for meeting global energy needs and mitigating the environmental consequences of fossil-fuel-based transportation. Water photoelectrolysis has been proposed as a viable approach for generating hydrogen, provided that stable and inexpensive photocatalysts with conversion efficiencies over 10% can be discovered, synthesized at scale, and successfully deployed. While a number of first-principles studies have focused on the data-driven discovery of photocatalysts, in the absence of systematic experimental validation, the success rate of these predictions may be limited. We address this problem by developing a screening procedure with co-validation between experiment and theory to expedite the synthesis, characterization, and testing of the computationally predicted, most desirable materials. Here, starting with 70 150 compounds in the Materials Project database, the proposed protocol yielded 71 candidate photocatalysts, 11 of which were synthesized as single-phase materials. Experiments confirmed hydrogen generation and favorable band alignment for 6 of the 11 compounds, with the most promising ones belonging to the families of alkali and alkaline-earth indates and orthoplumbates. This study shows the accuracy of a nonempirical, Hubbard-corrected density-functional theory method to predict band gaps and band offsets at a fraction of the computational cost of hybrid functionals, and outlines an effective strategy to identify photocatalysts for solar hydrogen generation.

08 HYDROGEN↗

Soluble limit and criticality of fermions in $\mathbb Z_2$ gauge theories

Quantum information theory and strongly correlated electron systems share a common theme of macroscopic quantum entanglement. In both topological error correction codes and theories of quantum materials (spin liquid, heavy fermion and high-$T_c$ systems), entanglement is implemented by means of an emergent gauge symmetry. Inspired by these connections, in this paper we introduce a simple model for fermions moving in the deconfined phase of a $\mathbb Z_2$ gauge theory by coupling Kitaev's toric code to mobile fermions. This permits us to exactly solve the ground state of this system and map out its phase diagram. Reversing the sign of the plaquette term in the toric code permits us to tune the ground state between an orthogonal metal and an orthogonal semimetal in which gapless quasiparticles survive despite a gap in the spectrum of original fermions. The small-to-large Fermi surface transition between these two states occurs in a stepwise fashion with multiple intermediate phases. By using a diagrammatic technique, we are able to explore physics beyond the integrable point to examine various instabilities of the deconfined phase and to derive the critical theory at the transition between deconfined and confined phases. We outline how the fermionic toric code can be implemented as a quantum circuit, thus providing an important link between quantum materials and quantum information theory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Deflagration to Detonation Transition Update: XDDT Code Modularization

A legacy FORTRAN 77 implementation of the Baer–Nunziato two-phase mixture theory for deflagration-to-detonation transition (DDT) in reactive granular materials—hereafter the XDDT (eXplosive DDT) code—has been modularized to Fortran 90 with modular structure, external input files, and adaptive mesh capability. During validation, two code defects were identified and corrected: an inconsistency in the nodal solid pressure evaluation and a nonphysical burn-front tracking criterion. The ignition criterion was also corrected to use the granular surface temperature from the interface heat transfer model, matching the original Baer implementation. An initial attempt to validate against Figure 3 of the original Baer and Nunziato (1986) paper revealed that the code’s detonation velocity on a 201-node mesh (5.5 km/s) was approximately 21% below the expected Chapman–Jouguet value for 70% TMD HMX (∼7 km/s). Validation was redirected to the piston-driven DDT experiments of McAfee et al. (1989), Shot B-9036, for which well-characterized ionization-pin data are available. With the compaction-burn coefficient calibrated to 𝐶 𝛼 = 75, the XDDT code reproduces the DDT transition time to within 0.4% and produces a steady-state detonation velocity within 4% of the McAfee experimental value of 6.36 km/s. The burn model was generalized to support pressure-dependent exponents, enabling application to nitrocellulose-based ball propellants (TS3659) with a cube-root pressure dependence. Validation against the Sandusky/Baer PDC82 piston-impact experiment yielded a reactive wave velocity of 2.3–2.8 km/s, in good agreement with the experimental value of ∼2.2 km/s, and wave coalescence within 5% of the experimental timing. The mathematical model, input parameter requirements, and a roadmap for extending XDDT to PETN with an autocatalytic burn model are presented.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

An exact solution of a simplified two-phase plume model

An exact solution of a simplified two-phase, gas-particle, rocket exhaust plume model is presented. It may be used to make the upper-bound estimation of the heat flux and pressure loads due to particle impingement on the objects existing in the rocket exhaust plume. By including the correction factors to be determined experimentally, the present technique will provide realistic data concerning the heat and aerodynamic loads on these objects for design purposes. Excellent agreement in trend between the best available computer solution and the present exact solution is shown.

Wang, S.-Y.↗

Optimal space communication techniques

Encoding of video signals using adaptive delta modulation (DM) was investigated, along with the error correction of DM encoded signals corrupted by thermal noise. Conversion from pulse code modulation to delta modulation was studied; an expression for the signal to noise ratio of the DM signal derived was achieved by employing linear, 2-sample, interpolation between sample points. A phase locked loop using a nonlinear processor in lieu of a loop filter is discussed.

Schilling, D. L.↗

Geodetic distance measuring apparatus

A mode locked laser system including a laser device and its peripheral components is utilized for deriving two mutually phase locked optical wavelength signals and one phase locked microwave CW signal which respectively traverse the same distance measurement path. Preferably the optical signals are comprised of pulse type signals. Phase comparison of the two optical wavelength pulse signals is used to provide a measure of the dry air density while phase comparison of one of the optical wavelength pulse signals and the microwave CW signal is used to provide a measure of the wet or water vapor density of the air. From these measurements is computed in means of the distance to be measured corrected for the atmospheric dry and water vapor densities in the measurement path.

Abshire, J. B.↗

Effect of combined pressure and temperature distortion orientation on high-bypass-ratio turbofan engine stability

Total-temperature, static-pressure and total-pressure distributions were measured in the inlet duct upstream of the engine inlet and within the fan and compressor of a YTF34 turbofan engine. Free-stream and boundary layer yaw angle variations were measured between a rotable screen assembly and the engine inlet. Total pressure distortions were generated using three 180 deg extent screens and total temperature distortions were generated using a rotatable hydrogen burner. Reynolds number index upstream of the rotatable screen assembly was maintained at 0.5 (based on the undistorted sectors at station 1, the inlet flow measuring station). The engine mechanical fan speed at sea level condition was rated at 7005 rpm. The engine was tested at a corrected fan speed of 90 percent of rated condition. Yaw angle increased between the rotatable screen assembly and the engine inlet. The largest variation in free-stream and boundary layer yaw angle occurs when the combined distortions are 180 deg out-of-phase. Static-pressure distortion increased exponentially as flow approached the engine. Total-pressure distortions were attenuated between the engine inlet and the compressor exit. Total-temperature distortion persisted through the compressor for all four combined distortions investigated.

Soeder, R. H.↗