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At least 865 records · Page 48

Factors Controlling Short-Range Methane Migration of Gas Hydrate Accumulations in Thin Coarse-Grained Layers

Natural gas hydrate is often found in marine sediment in heterogeneous distributions in different sediment types. Diffusion may be a dominant mechanism for methane migration and affect hydrate distribution. We use a 1–D advection–diffusion–reaction model to understand hydrate distribution in and surrounding thin coarse–grained layers to examine the sensitivity of four controlling factors in a diffusion–dominant gas hydrate system. These factors are the particulate organic carbon content at seafloor, the microbial reaction rate constant, the sediment grading pattern, and the cementation factor of the coarse–grained layer. We use available data at Walker Ridge 313 in the northern Gulf of Mexico where two ~3–m–thick hydrate–bearing coarse–grained layers were observed at different depths. The results show that the hydrate volume and the total amount of methane within thin, coarse–grained layers are most sensitive to the particulate organic carbon of fine–grained sediments when deposited at the seafloor. The thickness of fine–grained hydrate free zones surrounding the coarse–grained layers is most sensitive to the microbial reaction rate constant. Furthermore, it may be possible to estimate microbial reaction rate constants at other locations by studying the thickness of the hydrate free zones using the Damköhler number. In addition, we note that sediment grading patterns have a strong influence on gas hydrate occurrence within coarse–grained layers.

54 ENVIRONMENTAL SCIENCES↗

Enabling the Application of Large Footprint Open-Bottom Permeameters through New Shape Factors

Open-bottom permeameters (OBP) are commonly used for estimating the hydraulic properties of sediment beds under water bodies and fluxes across the sediment-water interface. The specific shape factor for an OBP flow situation is necessary for data interpretation. It is determined by the ratio of the permeameter tube radius to the tube's penetration depth within the sediment. Previous permeameter designs favored small radii which allowed for deeper penetration and stability of the tube. The shape factor is provided here for large footprint OBPs that allows for shallow penetration and greater radius. Through a numerical and analytical modeling study of the OBP hydrodynamics, previous knowledge on the OBP shape factor is generalized to the entire range of radius-to-penetration ratios that might be practically applied. The results reveal the advantages of the large footprint design, including better sensitivity due to the ability to impose larger discharge over a shorter test duration.

42 ENGINEERING↗

Large thermoelectric power factor from crystal symmetry-protected non-bonding orbital in half-Heuslers

Modern society relies on high charge mobility for efficient energy production and fast information technologies. The power factor of a material—the combination of electrical conductivity and Seebeck coefficient—measures its ability to extract electrical power from temperature differences. Recent advancements in thermoelectric materials have achieved enhanced Seebeck coefficient by manipulating the electronic band structure. However, this approach generally applies at relatively low conductivities, preventing the realization of exceptionally high-power factors. In contrast, half-Heusler semiconductors have been shown to break through that barrier in a way that could not be explained. Here, we show that symmetry-protected orbital interactions can steer electron–acoustic phonon interactions towards high mobility. This high-mobility regime enables large power factors in half-Heuslers, well above the maximum measured values. We anticipate that our understanding will spark new routes to search for better thermoelectric materials, and to discover high electron mobility semiconductors for electronic and photonic applications.

42 ENGINEERING↗

Giant g-factors and fully spin-polarized states in metamorphic short-period InAsSb/InSb superlattices

Abstract Realizing a large Landé g -factor of electrons in solid-state materials has long been thought of as a rewarding task as it can trigger abundant immediate applications in spintronics and quantum computing. Here, by using metamorphic InAsSb/InSb superlattices (SLs), we demonstrate an unprecedented high value of g ≈ 104, twice larger than that in bulk InSb, and fully spin-polarized states at low magnetic fields. In addition, we show that the g -factor can be tuned on demand from 20 to 110 via varying the SL period. The key ingredients of such a wide tunability are the wavefunction mixing and overlap between the electron and hole states, which have drawn little attention in prior studies. Our work not only establishes metamorphic InAsSb/InSb as a promising and competitive material platform for future quantum devices but also provides a new route toward g -factor engineering in semiconductor structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Hydropower capacity factors trending down in the United States

Abstract The United States hydropower fleet has faced increasing environmental and regulatory pressures over the last half century, potentially constraining total generation. Here we show that annual capacity factor has declined at four fifths of United States hydropower plants since 1980, with two thirds of decreasing trends significant at p < 0.05. Results are based on an analysis of annual energy generation totals and nameplate capacities for 610 plants (>5 megawatt), representing 87% of total conventional hydropower capacity in the United States. On aggregate, changes in capacity factor imply a fleetwide, cumulative generation decrease of 23% since 1980 before factoring in capacity upgrades—akin to retiring a Hoover Dam once every two to three years. Changes in water availability explain energy decline in only 21% of plants, highlighting the importance of non-climatic drivers of generation, including deterioration of plant equipment as well as changes to dam operations in support of nonpower objectives.

13 HYDRO ENERGY↗

Enhancing traffic safety analysis with digital twin technology: integrating vehicle dynamics and environmental factors into microscopic traffic simulation

Traffic safety is a critical concern in transportation engineering and urban planning. Traditional traffic safety analysis requires trained observers to collect data in the field, which is time-consuming, labor-intensive, and sometimes inaccurate. In recent years, microscopic traffic simulation, which simulates individual vehicles’ movements within a transportation network, have been utilized to study traffic safety. However, microscopic traffic simulation only focuses on traffic-related factors, such as traffic volume, traffic signals, and lane configurations, neglecting vehicle dynamics and environment-related factors like weather and lighting conditions, which can significantly impact traffic safety. In light of this, this paper explores the application of digital twin technology in traffic safety analysis, integrating vehicle simulators, which consider vehicle dynamics and environmental factors, and microscopic traffic simulators, which simulate the operations of traffic flow, for enhanced safety evaluations. Various scenarios, including different weather conditions and visibility levels, are simulated using a digital twin of a road segment in Tuscaloosa, Alabama. The simulations employ Surrogate Safety Measures (SSMs) like Time to Collision (TTC) and Deceleration Rate to Avoid a Crash (DRAC) to assess safety under varying conditions. The results demonstrate that traffic digital twin can identify potential safety issues that traditional microscopic simulation cannot, providing insights for improving traffic control strategies and transportation infrastructure to enhance traffic safety.

Civil engineering↗

Theoretical foundations of waste factor and waste figure with applications to fixed wireless access and relay systems

The growing energy demands of next-generation wireless systems call for unified, system-level metrics to evaluate and optimize energy efficiency. This paper advances the concept of the Waste Factor (W), or Waste Figure (WF) in decibel scale, as a general framework for modeling power loss across cascaded communication components. By integrating W into the Consumption Factor (CF)–the ratio of data rate to consumed power–we reveal how component inefficiencies influence the minimum achievable energy per bit. Closed-form expressions are derived for energy-per-bit consumption in both direct and relay-assisted links, along with a decision rule for selecting the more energy-efficient path. While not explicitly modeled, Reflective Intelligent Surfaces (RIS) are shown to fit naturally within this framework. The analysis is further applied to a Fixed Wireless Access (FWA) scenario, where asymmetries in traffic direction and hardware inefficiencies are jointly considered, demonstrating the utility of the Waste Factor in guiding energy-aware system design.

Sevim, Nurullah [Texas A&M University, College Sta↗

Factors influencing quantitative liquid (scanning) transmission electron microscopy

One of the experimental challenges in the study of nanomaterials in liquids in the (scanning) transmission electron microscope ((S)TEM) is gaining quantitative information. A successful experiment in the fluid stage will depend upon the ability to plan for sensitive factors such as the electron dose applied, imaging mode, acceleration voltage, beam-induced solution chemistry changes, and the specifics of solution reactivity. In this paper, we make use of a visual approach to show the extent of damage of different instrumental and experimental factors in liquid samples imaged in the (S)TEM. Previous results as well as new insights are presented to create an overview of beam-sample interactions identified for changing imaging and experimental conditions. This work establishes procedures to understand the effect of the electron beam on a solution, provides information to allow for a deliberate choice of the optimal experimental conditions to enable quantification, and identifies the experimental factors that require further analysis for achieving fully quantitative results in the liquid (S)TEM.

(S)TEM↗

Very high commutation quality factor and dielectric tunability in nanocomposite SrTiO 3 thin films with T c enhanced to >300 °C

We report on nanoengineered SrTiO 3 –Sm2O 3 nanocomposite thin films with the highest reported values of commutation quality factor (CQF or K-factor) of >2800 in SrTiO 3 at room temperature. The films also had a large tunability of dielectric constant (49%), low tangent loss (tan δ = 0.01) and a Curie temperature for SrTiO 3 > 300 °C, making them very attractive for tunable RF applications. The enhanced properties originate from the unique nanostructure in the films, with <20 nm diameter strain-controlling Sm 2 O 3 nanocolumns embedded in a SrTiO 3 matrix. Very large out-of-plane strains (up to 2.6%) and high tetragonality (c/a) (up to 1.013) were induced in the SrTiO 3 . Finally, the K-factor was further enhanced by adding 1 at% Sc 3+ (acceptor) dopant in SrTiO 3 to a value of 3300 with the tangent loss being ≤0.01 up to 1000 kV cm -1 .

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Subleading power corrections to heavy quarkonium production in QCD factorization approach

We report the current understanding of heavy quarkonium production at high transverse momentum ($p_T$) in hadronic collisions in terms of QCD factorization. In this presentation, we highlight the role of subleading power corrections to heavy quarkonium production, which are essential to describe the $p_T$ spectrum of quarkonium at a relatively lower $p_T$. We also introduce prescription to match QCD factorization to fixed-order NRQCD factorization calculations for quarkonium production at low $p_T$.

Lee, Kyle↗

Q-factor of (In,Ga)N containing III-nitride microcavity grown by multiple deposition techniques

A 3λ/2 (In,Ga)N/GaN resonant cavity, designed for ∼415 nm operation, is grown by molecular beam epitaxy and is sandwiched between a 39.5-period (In,Al)N/GaN distributed Bragg reflector (DBR), grown on c-plane GaN-on-sapphire pseudo-substrate by metal-organic vapor phase epitaxy and an 8-period SiO{sub 2}/ZrO{sub 2} DBR, deposited by electron beam evaporation. Optical characterization reveals an improvement in the cavity emission spectral purity of approximately one order of magnitude due to resonance effects. The combination of spectrophotometric and micro-reflectivity measurements confirms the strong quality (Q)-factor dependence on the excitation spot size. We derive simple analytical formulas to estimate leak and residual absorption losses and propose a simple approach to model the Q-factor and to give a quantitative estimation of the weight of cavity disorder. The model is in good agreement with both transfer-matrix simulation and the experimental findings. We point out that the realization of high Q-factor (In,Ga)N containing microcavities on GaN pseudo-substrates is likely to be limited by the cavity disorder.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Franck-Condon factors perturbed by damped harmonic oscillators: Solvent enhanced X {sup 1}A{sub g} ↔ A{sup 1}B{sub 1u} absorption and fluorescence spectra of perylene

Damped harmonic oscillators are utilized to calculate Franck-Condon factors within displaced harmonic oscillator approximation. This is practically done by scaling unperturbed Hessian matrix that represents local modes of force constants for molecule in gaseous phase, and then by diagonalizing perturbed Hessian matrix it results in direct modification of Huang–Rhys factors which represent normal modes of solute molecule perturbed by solvent environment. Scaling parameters are empirically introduced for simulating absorption and fluorescence spectra of an isolated solute molecule in solution. The present method is especially useful for simulating vibronic spectra of polycyclic aromatic hydrocarbon molecules in which hydrogen atom vibrations in solution can be scaled equally, namely the same scaling factor being applied to all hydrogen atoms in polycyclic aromatic hydrocarbons. The present method is demonstrated in simulating solvent enhanced X {sup 1}A{sub g} ↔ A{sup 1}B{sub 1u} absorption and fluorescence spectra of perylene (medium-sized polycyclic aromatic hydrocarbon) in benzene solution. It is found that one of six active normal modes v{sub 10} is actually responsible to the solvent enhancement of spectra observed in experiment. Simulations from all functionals (TD) B3LYP, (TD) B3LYP35, (TD) B3LYP50, and (TD) B3LYP100 draw the same conclusion. Hence, the present method is able to adequately reproduce experimental absorption and fluorescence spectra in both gas and solution phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Vibrational frequency scaling factors for correlation consistent basis sets and the methods CC2 and MP2 and their spin-scaled SCS and SOS variants

We present scaling factors for vibrational frequencies calculated within the harmonic approximation and the correlated wave-function methods coupled cluster singles and doubles model (CC2) and Møller-Plesset perturbation theory (MP2) with and without a spin-component scaling (SCS or spin-opposite scaling (SOS)). Frequency scaling factors and the remaining deviations from the reference data are evaluated for several non-augmented basis sets of the cc-pVXZ family of generally contracted correlation-consistent basis sets as well as for the segmented contracted TZVPP basis. We find that the SCS and SOS variants of CC2 and MP2 lead to a slightly better accuracy for the scaled vibrational frequencies. The determined frequency scaling factors can also be used for vibrational frequencies calculated for excited states through response theory with CC2 and the algebraic diagrammatic construction through second order and their spin-component scaled variants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improvement of force factor of magnetostrictive vibration power generator for high efficiency

We develop high power magnetostrictive vibration power generator for battery-free wireless electronics. The generator is based on a cantilever of parallel beam structure consisting of coil-wound Galfenol and stainless plates with permanent magnet for bias. Oscillating force exerted on the tip bends the cantilever in vibration yields stress variation of Galfenol plate, which causes flux variation and generates voltage on coil due to the law of induction. This generator has advantages over conventional, such as piezoelectric or moving magnet types, in the point of high efficiency, highly robust, and low electrical impedance. Our concern is the improvement of energy conversion efficiency dependent on the dimension. Especially, force factor, the conversion ratio of the electromotive force (voltage) on the tip velocity in vibration, has an important role in energy conversion process. First, the theoretical value of the force factor is formulated and then the validity was verified by experiments, where we compare four types of prototype with parameters of the dimension using 7.0 × 1.5 × 50 mm beams of Galfenol with 1606-turn wound coil. In addition, the energy conversion efficiency of the prototypes depending on load resistance was measured. The most efficient prototype exhibits the maximum instantaneous power of 0.73 W and energy of 4.7 mJ at a free vibration of frequency of 202 Hz in the case of applied force is 25 N. Further, it was found that energy conversion efficiency depends not only on the force factor but also on the damping (mechanical loss) of the vibration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Generic expansion of the Jastrow correlation factor in polynomials satisfying symmetry and cusp conditions

Jastrow correlation factors play an important role in quantum Monte Carlo calculations. Together with an orbital based antisymmetric function, they allow the construction of highly accurate correlation wave functions. In this paper, a generic expansion of the Jastrow correlation function in terms of polynomials that satisfy both the electron exchange symmetry constraint and the cusp conditions is presented. In particular, an expansion of the three-body electron-electron-nucleus contribution in terms of cuspless homogeneous symmetric polynomials is proposed. The polynomials can be expressed in fairly arbitrary scaling function allowing a generic implementation of the Jastrow factor. It is demonstrated with a few examples that the new Jastrow factor achieves 85%–90% of the total correlation energy in a variational quantum Monte Carlo calculation and more than 90% of the diffusion Monte Carlo correlation energy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Calculation of the molecular integrals with the range-separated correlation factor

Explicitly correlated quantum chemical calculations require calculations of five types of two-electron integrals beyond the standard electron repulsion integrals. We present a novel scheme, which utilises general ideas of the McMurchie-Davidson technique, to compute these integrals when the so-called “range-separated” correlation factor is used. This correlation factor combines the well-known short range behaviour resulting from the electronic cusp condition, with the exact long-range asymptotics derived for the helium atom [Lesiuk, Jeziorski, and Moszynski, J. Chem. Phys. 139, 134102 (2013)]. Almost all steps of the presented procedure are formulated recursively, so that an efficient implementation and control of the precision are possible. Additionally, the present formulation is very flexible and general, and it allows for use of an arbitrary correlation factor in the electronic structure calculations with minor or no changes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature dependent barrier height and ideality factor of electrodeposited n-CdSe/Cu Schottky barrier diode

This article reports the measurement of temperature-dependent barrier height and ideality factor of n-CdSe/Cu Schottky barrier diode. The Cadmium Selenide (CdSe) thin films have been deposited by simple electrodeposition technique. The XRD measurements ravels the deposited single phase CdSe films are highly oriented on (002) plane and the average particle size has been calculated to be ~18 nm. From SEM characterization, it is clear that the surface of CdSe thin films are continuous, homogeneous and the film is well adhered to the substrate and consists of fine grains which are irregular in shape and size. Current-Voltage characteristics have been measured at different temperatures in the range (298 K – 353 K). The barrier height and ideality factor are found to be strongly temperature dependent. The inhomogenious barrier height increases and ideality factor decreases with increase in temperature. The expectation value has been calculated and its value is 0.30 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Note: On the wavelength dependence of the intensity calibration factor of extreme ultraviolet spectrometer determined with profile measurement of bremsstrahlung continuum

The absolute calibration factor of extreme ultraviolet spectroscopic instrument which has recently been determined from absolute radiation profile measurement of bremsstrahlung continuum has been investigated by comparing the calculated diffraction efficiency of grating. An overall tendency of the wavelength dependence of the calibration factor from 40 Å to 500 Å can be reproduced by that of the grating efficiency, especially the agreement between the measured calibration factor and the calculated grating efficiency has been found to be fairly good for the wavelength range 200 Å-500 Å.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗