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At least 667 records · Page 37

Preliminary investigation of an electrical network model for ultrasonic scattering

The behavior of acoustic attenuation in a solid is related to the electrical transmission line model where the electrical shunt conductance, which is frequency dependent, represents the loss due to the scattering sites in the solid. Results indicate that the absolute value of attenuation at a given frequency depends on both the normalized mean square deviation of the density and bulk modulus of the scattering sites from the ambient medium and the spatial scattering correlation function. Besides establishing the absolute value of attenuation, the spatial correlation function determines the attenuation profile as a function of frequency.

Maisel, J. E.↗

Stability, electronic quantum states, and magnetic interactions of Er 3+ ions in Ga 2 ⁢O 3

Here, we report an ab initio study of phase stability, defect formation, electronic structure, and multiple magnetic, Dzyaloshinskii-Moriya, optical, hyperfine, and crystal field interactions in erbium (Er)-doped wide band gap 𝛼- and 𝛽-gallium oxides (Ga 2 ⁢O 3 ), critically important to make a foundation for both optoelectronic and quantum information applications. The chemical, structural, mechanical, and dynamical stabilities of the pristine phases are confirmed from respective negative formation energies, negative cohesive energies, favorable elastic constants, and positive phonon frequencies. The phonon dispersions indicate that the Ga-O bonds are uniform in the 𝛼-phase, while they vary in the 𝛽-phase due to the anisotropic polyhedral movement. The defect formation energy analysis confirms that both Er-doped 𝛼- and 𝛽−Ga 2 ⁢O 3 prefer Er 3+ (neutral) state. The underestimated band gaps of the pristine phases from standard density functional theory (DFT) calculations as compared to experimental values are corrected by employing the hybrid functional calculations, resulting in the indirect band gaps of 5.21 eV in 𝛼−Ga 2 ⁢O 3 and 4.94 eV in 𝛽−Ga 2 ⁢O 3 . The site preference energy analysis indicates partial occupation of Er in the octahedral site of Ga. The anisotropic nature of hyperfine tensor coefficients of Er is similar in both phases, which may be due to the occupation of Er in the same octahedral Ga site. On the other hand, the calculated magnetic exchange interaction between two Er dopants is negative for 𝛼 and positive for 𝛽, indicating an antiferromagnetic (AFM) ground state in the former and a ferromagnetic (FM) ground state in the latter. Large values of Dzyaloshinskii-Moriya interactions (DMIs) are obtained along the 𝑥 direction in the 𝛼 and along the 𝑦 direction in the 𝛽. The large DMI may support exotic magnetic textures, a promising direction for spintronic applications. The analysis of dielectric constants and refractive indices of both pristine and Er-doped phases shows a good agreement with available experimental values. The calculated optical anisotropy is slightly higher in 𝛽 than those in 𝛼, which is due to the involvement of lower symmetry in 𝛽. The crystal field coefficients (CFCs) calculated from DFT are used to analyze 4⁢𝑓 multiplets and 4⁢𝑓 −4⁢𝑓 transitions. Thus calculated lowest energy level of the first excited state to the lowest energy level of the ground state is about 1.53 µ⁢m, which is in a good agreement with available experiments, and it falls within the quantum telecommunication wavelength range.

3-dimensional systems↗

Understanding Depolymerization and Repolymerization Toward Repurposing Polymer Waste Into Valuable Chemicals & Materials

The versatility of synthetic polymers has led to their continual and escalating production that has accompanied mismanagement at their end-of-life. Exploring and understanding complementary avenues to repurpose plastic waste beyond traditional mechanical recycling can unlock new opportunities in providing feedstock flexibility, securing supply chains, recovering valuable materials, and enabling new valorization paths. Chemical recycling allows for the return to monomers, tailored oligomers, and polymers, even from mixed states of post-consumer waste plastics. This review article summarizes our research team's efforts on elucidating key insights surrounding plastic depolymerization and repolymerization into valorized products. We revealed organocatalyst design rules lead to highly effective and selective deconstruction of condensation polymers. The intricacies of tailoring the reaction environment to produce products of specific lengths and desired functionalities transform low-value waste feedstocks into high-performance materials with embedded circularity. Other types of polymers, including polyolefins and polyakenamers, have also been designed and converted into valuable products. There remain opportunities for further developments such as low-energy and precision depolymerization, adoption of cutting-edge small molecule transformation to access functionalized polymer scaffolds typically inaccessible otherwise, as well as precision design and understanding through the aid of advanced tools.

Galan, Nick [ORNL]↗

Numerical Investigation and Optimization of a Flushwall Injector for Scramjet Applications at Hypervelocity Flow Conditions

An investigation utilizing Reynolds-averaged simulations (RAS) was performed in order to find optimal designs for an interdigitated flushwall injector suitable for scramjet applications at hypervelocity conditions. The flight Mach number, duct height, spanwise width, and injection angle were the design variables selected to maximize two objective functions: the thrust potential and combustion efficiency. A Latin hypercube sampling design-of-experiments method was used to select design points for RAS. A methodology was developed that automated building geometries and generating grids for each design. The ensuing RAS analysis generated the performance database from which the two objective functions of interest were computed using a one-dimensional performance utility. The data were fitted using four surrogate models: an artificial neural network (ANN) model, a cubic polynomial, a quadratic polynomial, and a Kriging model. Variance-based decomposition showed that both objective functions were primarily driven by changes in the duct height. Multiobjective design optimization was performed for all four surrogate models via a genetic algorithm method. Optimal solutions were obtained at the upper and lower bounds of the flight Mach number range. The Kriging model obtained an optimal solution set that predicted high values for both objective functions. Additionally, three challenge points were selected to assess the designs on the Pareto fronts. Further sampling among the designs of the Pareto fronts are required in order to lower the errors and perform more accurate surrogate-based optimization. sed optimization.

Shenoy, Rajiv R.↗

Numerical Investigation and Optimization of a Flushwall Injector for Scramjet Applications at Hypervelocity Flow Conditions

An investigation utilizing Reynolds-averaged simulations (RAS) was performed in order to demonstrate the use of design and analysis of computer experiments (DACE) methods in Sandia’s DAKOTA software package for surrogate modeling and optimization. These methods were applied to a flow- path fueled with an interdigitated flushwall injector suitable for scramjet applications at hyper- velocity conditions and ascending along a constant dynamic pressure flight trajectory. The flight Mach number, duct height, spanwise width, and injection angle were the design variables selected to maximize two objective functions: the thrust potential and combustion efficiency. Because the RAS of this case are computationally expensive, surrogate models are used for optimization. To build a surrogate model a RAS database is created. The sequence of the design variables comprising the database were generated using a Latin hypercube sampling (LHS) method. A methodology was also developed to automatically build geometries and generate structured grids for each design point. The ensuing RAS analysis generated the simulation database from which the two objective functions were computed using a one-dimensionalization (1D) of the three-dimensional simulation data. The data were fitted using four surrogate models: an artificial neural network (ANN), a cubic polynomial, a quadratic polynomial, and a Kriging model. Variance-based decomposition showed that both objective functions were primarily driven by changes in the duct height. Multiobjective design optimization was performed for all four surrogate models via a genetic algorithm method. Optimal solutions were obtained at the upper and lower bounds of the flight Mach number range. The Kriging model predicted an optimal solution set that exhibited high values for both objective functions. Additionally, three challenge points were selected to assess the designs on the Pareto fronts. Further sampling among the designs of the Pareto fronts may be required to lower the surrogate model errors and perform more accurate surrogate-model-based optimization.

Shenoy, Rajiv R.↗

Measurement of the inclusive isolated-photon cross section in pp collisions at $\sqrt{s}$ = 13 TeV using 36 fb -1 of ATLAS data

The differential cross section for isolated-photon production in pp collisions is measured at a centre-of-mass energy of 13 TeV with the ATLAS detector at the LHC using an integrated luminosity of 36.1 fb -1 . The differential cross section is presented as a function of the photon transverse energy in different regions of photon pseudorapidity. The differential cross section as a function of the absolute value of the photon pseudorapidity is also presented in different regions of photon transverse energy. Next-to-leading-order QCD calculations from Jetphox and Sherpa as well as next-to-next-to-leading-order QCD calculations from Nnlojet are compared with the measurement, using several parameterisations of the proton parton distribution functions. The predictions provide a good description of the data within the experimental and theoretical uncertainties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Acoustic receptivity due to weak surface inhomogeneities in adverse pressure gradient boundary layers

The boundary layer receptivity to free-stream acoustic waves in the presence of localized surface disturbances is studied for the case of incompressible Falkner-Skan flows with adverse pressure gradients. These boundary layers are unstable to both viscous and inviscid (i.e., inflectional) modes, and the finite Reynolds number extension of the Goldstein-Ruban theory provides a convenient method to compare the efficiency of the localized receptivity processes in these two cases. The value of the efficiency function related to the receptivity caused by localized distortions in surface geometry is relatively insensitive to the type of instability mechanism, provided that the same reference length scale is used to normalize the efficiency function for each type of instability. In contrast, when the receptivity is induced by variations in wall suction velocity or in wall admittance distribution, the magnitudes of the related efficiency functions, as well as the resulting coupling coefficients, are smaller for inflectional (i.e., Rayleigh) modes than for the viscous Tollmien-Schlichting waves. The reduced levels of receptivity can be attributed mainly to the shorter wavelengths and higher frequencies of the inflectional modes. Because the most critical band of frequencies shifts toward higher values, the overall efficiency of the wall suction- and the wall admittance-induced receptivity decreases with an increase in the adverse pressure gradient.

Choudhari, Meelan↗

Local synthesis of 3D magnetic surfaces

Local synthesis of nested 3D toroidal magnetic surfaces is carried out on the basis of the general theory of surfaces by using magnetic coordinates (generally unknown a priori). An equilibrium magnetic surface is calculated by specifying two functions on the surface (the absolute value of the magnetic field and the distance to the nearest magnetic surface) and three parameters (the rotational transform, pressure gradient, and poloidal current). The choice of the parameters is restricted by the requirement that the surface should be closed toroidally. A method of synthesis of a closed magnetic surface is proposed when two functions—the absolute value of the magnetic field and the major radius—are specified. A set of harmonics of a new type of poloidally preudosymmetric configuration (a toroidal mirror with a large mirror ratio and small rotational transform) is obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Exact β-function of Yang-Mills theory in 2+1 dimensions

To set the stage, I discuss the β-function of the massless O(N) model in three dimensions, which can be calculated exactly in the large N limit. Then, I consider SU(N) Yang-Mills theory in 2+1 space-time dimensions. Relating the β -function to the expectation value of the action in lattice gauge theory, and the latter to the trace of the energy-momentum tensor, Is how that $ \frac{d\ln {g}^2/\mu }{d\ln \mu }=-1 $ for all g and all N in one particular renormalization scheme. As a consequence, I find that the Yang-Mills β -function in three dimensions must have the same sign for all finite and positive bare coupling parameters in any renormalization scheme, and all non-trivial infrared fixed points are unreachable in practice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The interaction of radio frequency electromagnetic fields with atmospheric water droplets and applications to aircraft ice prevention

The feasibility of computerized simulation of the physics of advanced microwave anti-icing systems, which preheat impinging supercooled water droplets prior to impact, was investigated. Theoretical and experimental work performed to create a physically realistic simulation is described. The behavior of the absorption cross section for melting ice particles was measured by a resonant cavity technique and found to agree with theoretical predictions. Values of the dielectric parameters of supercooled water were measured by a similar technique at lambda = 2.82 cm down to -17 C. The hydrodynamic behavior of accelerated water droplets was studied photograhically in a wind tunnel. Droplets were found to initially deform as oblate spheroids and to eventually become unstable and break up in Bessel function modes for large values of acceleration or droplet size. This confirms the theory as to the maximum stable droplet size in the atmosphere. A computer code which predicts droplet trajectories in an arbitrary flow field was written and confirmed experimentally. The results were consolidated into a simulation to study the heating by electromagnetic fields of droplets impinging onto an object such as an airfoil. It was determined that there is sufficient time to heat droplets prior to impact for typical parameter values. Design curves for such a system are presented.

Hansman, R. J., Jr.↗

Energy balance in solar and stellar chromospheres

Net radiative cooling rates for quiet and active regions of the solar chromosphere and for two stellar chromospheres are calculated from corresponding atmospheric models. Models of chromospheric temperature and microvelocity distributions are derived from observed spectra of a dark point within a cell, the average sun and a very bright network element on the quiet sun, a solar plage and flare, and the stars Alpha Boo and Lambda And. Net radiative cooling rates due to the transitions of various atoms and ions are then calculated from the models as a function of depth. Large values of the net radiative cooling rate are found at the base of the chromosphere-corona transition region which are due primarily to Lyman alpha emission, and a temperature plateau is obtained in the transition region itself. In the chromospheric regions, the calculated cooling rate is equal to the mechanical energy input as a function of height and thus provides a direct constraint on theories of chromospheric heating.

Avrett, E. H.↗

Objective PDF-Shaping-Based Economic Dispatch for Power Systems with Intermittent Generation Sources via Simultaneous Mean and Variance Minimization

With the ever increased penetration of renewables in power grid, economic power dispatch faces a challenge in terms of min-imizing the generation cost which is increasingly affected by random factors and constraints subjected to random inputs. In this context, the cost functions are random for which the widely used mean value based minimization can only achieve limited profit gain. Indeed, as the probability density function (PDF) is a comprehensive measure of characteristics of any random varia-bles, the desired optimization should address the shaping of the PDF of the generation cost function rather just its mean value. Through a simple case study, this paper firstly reveals the long tail PDF shape of the cost function when the traditional mean-value based optimization is used. This is then followed by the de-velopment of a novel PDF-shaping-based method that optimizes both the mean and variance of the PDF of the cost function. It has been shown that the proposed approach can reshape the PDF of the generation cost function so as to make it as left and as narrow as possible, leading to a significant low risk for high generation cost. Simulation tests have been included to show the effectiveness of the proposed approach and encouraging results have been obtained.

intermittent generation sources, uncertainties, PD↗

The RBE-LET relationship for rodent intestinal crypt cell survival, testes weight loss, and multicellular spheroid cell survival after heavy-ion irradiation

This report presents data for survival of mouse intestinal crypt cells, mouse testes weight loss as an indicator of survival of spermatogonial stem cells, and survival of rat 9L spheroid cells after irradiation in the plateau region of unmodified particle beams ranging in mass from 4He to 139La. The LET values range from 1.6 to 953 keV/microns. These studies examine the RBE-LET relationship for two normal tissues and for an in vitro tissue model, multicellular spheroids. When the RBE values are plotted as a function of LET, the resulting curve is characterized by a region in which RBE increases with LET, a peak RBE at an LET value of 100 keV/microns, and a region of decreasing RBE at LETs greater than 100 keV/microns. Inactivation cross sections (sigma) for these three biological systems have been calculated from the exponential terminal slope of the dose-response relationship for each ion. For this determination the dose is expressed as particle fluence and the parameter sigma indicates effect per particle. A plot of sigma versus LET shows that the curve for testes weight loss is shifted to the left, indicating greater radiosensitivity at lower LETs than for crypt cell and spheroid cell survival. The curves for cross section versus LET for all three model systems show similar characteristics with a relatively linear portion below 100 keV/microns and a region of lessened slope in the LET range above 100 keV/microns for testes and spheroids. The data indicate that the effectiveness per particle increases as a function of LET and, to a limited extent, Z, at LET values greater than 100 keV/microns. Previously published results for spread Bragg peaks are also summarized, and they suggest that RBE is dependent on both the LET and the Z of the particle.

Non-NASA Center↗

Solar EUV energy budget of the thermosphere

The considered study represents an extension of investigations reported by Torr et al. (1980). The earlier investigations are concerned with a quantification of thermospheric UV energy partitions for steady state conditions. The heating efficiency was determined as a function of altitude for selected conditions. Its value was found to vary dynamically as a function of altitude, season, latitude, and solar cycle. The steady state solution reported earlier is extended in the current study to a time dependent solution over a diurnal cycle. It is pointed out that the reported results will make necessary a significant revision of thermospheric models. Thus, estimates of additional sources such as Joule heating obtained from global thermospheric circulation models will require reevaluation.

Torr, M. R.↗

Use of GTE, Mozaic, Sonex, and UARS-MLS Data in Understanding Tropospheric Processes Critical to Model Development

During the first year we focused on the analysis of data collected on over 7600 commercial aircraft flights (the MOZAIC program). The aim was to further our understanding of the fundamental dynamical processes that drive mesoscale phenomena in the upper troposphere and lower stratosphere, and their effects on the advection of passive scalars. Through these studies we made the following findings. 2001]: We derived the Kolmogorov equation for the third-order velocity structure function on an f-plane. We showed how the sign of the function yields the direction of the energy cascade. The remarkable linearity of the measured off diagonal third-order structure function was studied. We suggested that the Coriolis term, which appears explicitly in this equation, may be crucial in understanding the observed kinetic energy spectra at scales larger than 100 km, instead of the nonlinear advection term as previously assumed. Also, we showed that decreases with latitude for mid- to high-latitudes, and tabulated the values. Ozone concentration structure functions were calculated by restricting the data points to approximately isentropic pairings. In this way we were able to make comparisons with scalar advection theories. We found that, at even the largest scales, there was no evidence for the simple scaling predicted for smooth advection/diffusion.

Newell, Reginald E.↗

The response of a 0.03-cm silicon detector to a mixed neutron and gamma field as a function of shield material and thickness

The neutron and gamma radiation from a MHW-RTG was used to evaluate the total response of a shielded 0.3-mm silicon detector. The generator employs a 2200 W(th) PuO2 heat source concept known as the HELIPAK. The total integrated neutron and gamma ray fluxes at 100 cm away from the source along the radial direction were 1.67 x 1,000 n/sq cm/s and 1.49 x 10,000 gamma sq cm/s, respectively. Experimental values of the response function of the shielded silicon detector were used to determine the total counting rates due to photons at bias energies ranging from 50 to 200 keV. For neutrons, analytically computed response functions were used to determine the total counting rates at the same bias energies. It was found that for an aluminum shield the neutrons are not significant, regardless of the thickness of the shield. However, the magnitude of the total counting rate due to neutrons increases with increased atomic number of the shield and becomes comparable to the counting rate due to photons for a platinum shield thickness of 5 cm.

Taherzadeh, M.↗

Diverse Photosynthetic Capacity of Global Ecosystems Mapped by Satellite Chlorophyll Fluorescence Measurements

Photosynthetic capacity is often quantified by the Rubisco-limited photosynthetic capacity (i.e. maximum carboxylation rate, V(sub cmax)). It is a key plant functional trait that is widely used in Earth System Models for simulation of the global carbon and water cycles. Measuring V(sub cmax) is time-consuming and laborious; therefore, the spatiotemporal distribution of V(sub cmax) is still poorly understood due to limited measurements of V(sub cmax). In this study, we used a data assimilation approach to map the spatial variation of V(sub cmax) for global terrestrial ecosystems from a 11-year-long satellite-observed solar-induced chlorophyll fluorescence (SIF) record. In this SIF-derived V(sub cmax) map, the mean V(sub cmax) value for each plant function type (PFT) is found to be comparable to a widely used N-derived V(sub cmax) dataset by Kattge et al. (2009). The gradient of V(sub cmax) along PFTs is clearly revealed even without land cover information as an input. Large seasonal and spatial variations of V(sub cmax) are found within each PFT, especially for diverse crop rotation systems. The distribution of major crop belts, characterized with high V(sub cmax) values, is highlighted in this V(sub cmax) map. Legume plants are characterized with high V(sub cmax) values. This V(sub cmax) map also clearly illustrates the emerging soybean revolution in South America where V(sub cmax) is the highest among the world. The gradient of V(sub cmax) in Amazon is found to follow the transition of soil types with different soil N and P contents. This study suggests that satellite-observed SIF is powerful in deriving the important plant functional trait, i.e. V(sub cmax), for global climate change studies.

Liming He↗

Land surface model parameter optimisation using in situ flux data: comparison of gradient-based versus random search algorithms (a case study using ORCHIDEE v1.9.5.2)

Land surface models (LSMs), which form the land component of earth system models, rely on numerous processes for describing carbon, water and energy budgets, often associated with highly uncertain parameters. Data assimilation (DA) is a useful approach for optimising the most critical parameters in order to improve model accuracy and refine future climate predictions. In this study, we compare two different DA methods for optimising the parameters of seven plant functional types (PFTs) of the ORCHIDEE LSM using daily averaged eddy-covariance observations of net ecosystem exchange and latent heat flux at 78 sites across the globe. We perform a technical investigation of two classes of minimisation methods – local gradient-based (the L-BFGS-B algorithm, limited memory Broyden–Fletcher–Goldfarb–Shanno algorithm with bound constraints) and global random search (the genetic algorithm) – by evaluating their relative performance in terms of the model–data fit and the difference in retrieved parameter values. We examine the performance of each method for two cases: when optimising parameters at each site independently (“single-site” approach) and when simultaneously optimising the model at all sites for a given PFT using a common set of parameters (“multi-site” approach). We find that for the single site case the random search algorithm results in lower values of the cost function (i.e. lower model–data root mean square differences) than the gradient-based method; the difference between the two methods is smaller for the multi-site optimisation due to a smoothing of the cost function shape with a greater number of observations. The spread of the cost function, when performing the same tests with 16 random first-guess parameters, is much larger with the gradient-based method, due to the higher likelihood of being trapped in local minima. When using pseudo-observation tests, the genetic algorithm results in a closer approximation of the true posterior parameter value in the L-BFGS-B algorithm. We demonstrate the advantages and challenges of different DA techniques and provide some advice on using it for the LSM parameter optimisation.

58 GEOSCIENCES↗