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At least 235 records · Page 13

Synthesis of Submillimeter Radiation for Spectroscopy

The frequency-multiplier submillimeter spectrometer (FMSS) is a laboratory apparatus for far-infrared molecular spectroscopy, embodying several advances over prior such apparatuses. The most innovative part of the FMSS is a source of monochromatic submillimeter- wavelength radiation that can be tuned over a wide frequency range, as needed for trace gas analyses and molecular- structure studies for which such apparatuses are typically used. The radiation source features a modular design and is built mostly from commercially available components. It includes a computer-controlled radio-frequency synthesizer, amplifiers, and frequency multipliers of a type heretofore used in local oscillators for heterodyne far-infrared receivers. In conjunction with the rest of the apparatus, this source makes it possible to perform measurements over large portions of the submillimeter-wavelength spectrum with resolution, accuracy, and sensitivity greater than those achievable in Fourier-transform infrared spectroscopy. In comparison with prior laboratory submillimeter- wavelength radiation sources, this source is much lighter in weight, less cumbersome, less power-hungry, and capable of sustained operation with less intervention by laboratory personnel. Also, unlike some prior submillimeter-wavelength sources, this source does not require a high-voltage power source. As shown in more detail in the figure, the radiation source includes a sweep frequency synthesizer connected to an external waveform generator, the output of which is used as a reference signal. The synthesizer is computer-controlled through a standard general-purpose interface bus (GPIB) and is operated in phase-locked continuous- wave mode for all measurements. The synthesizer output ranges in frequency from 11 to 18 GHz. For suppression of frequency spurs and harmonics, the output of the frequency synthesizer is fed through a tunable yttrium iron garnet (YIG) filter, which is swept in frequency simultaneously with the frequency synthesizer.

Maiwald, Frank↗

Identification of Important Phenomena for Light Water Reactors During Heat Transport System Failure Events in Integrated Energy Systems

This work adapts historical literature and existing phenomena identification and ranking tables (PIRT) to be applicable to a novel nuclear power plant (NPP) and chemical or thermal process integrated energy system (IES), particularly focusing on the process heat and heat transport system failure events that are not a concern during normal NPP operation but become vital when an IES is considered. Nuclear energy has been suggested to go beyond base-load applications and be used for hydrogen co-generation systems, amongst other IESs. Prior to the implementation of nuclear IESs, sufficient analysis must be performed on accident events to ensure public safety. The events considered were deemed important because of their potential to damage systems, structures, and components (SSCs). Process thermal events of concern include loss of heat load and temperature transient events. Loss of heat load events were characterized as having high importance and being well understood. Temperature transient events may be further categorized by the cyclic loading and harmonics phenomena. Cyclic loading issues were classified as medium to high importance with knowledge gaps existing regarding fatigue and low power operation, while harmonics phenomena were classified as low importance and are well understood. Heat transport system failure events of concern include intermediate and process heat exchanger failures, mass addition to reactor coolant, ingress of material from thermal manifold/energy storage, and loss of intermediate fluid. Furthermore, these events tended to be of high or medium importance, with some knowledge gaps needing to be filled for individual reactor systems due to unique designs.

Integrated Energy System (IES)↗

Miniature MMIC Low Mass/Power Radiometer Modules for the 180 GHz GeoSTAR Array

We have developed and demonstrated miniature 180 GHz Monolithic Microwave Integrated Circuit (MMIC) radiometer modules that have low noise temperature, low mass and low power consumption. These modules will enable the Geostationary Synthetic Thinned Aperture Radiometer (GeoSTAR) of the Precipitation and All-weather Temperature and Humidity (PATH) Mission for atmospheric temperature and humidity profiling. The GeoSTAR instrument has an array of hundreds of receivers. Technology that was developed included Indium Phosphide (InP) MMIC Low Noise Amplifiers (LNAs) and second harmonic MMIC mixers and I-Q mixers, surface mount Multi-Chip Module (MCM) packages at 180 GHz, and interferometric array at 180 GHz. A complete MMIC chip set for the 180 GHz receiver modules (LNAs and I-Q Second harmonic mixer) was developed. The MMIC LNAs had more than 50% lower noise temperature (NT=300K) than previous state-of-art and MMIC I-Q mixers demonstrated low LO power (3 dBm). Two lots of MMIC wafers were processed with very high DC transconductance of up to 2800 mS/mm for the 35 nm gate length devices. Based on these MMICs a 180 GHz Multichip Module was developed that had a factor of 100 lower mass/volume (16x18x4.5 mm3, 3g) than previous generation 180 GHz receivers.

Monolithic Microwave Integrated Circuit (MMIC)↗

High-frequency instability of the sheath-plasma resonance

Coherent high frequency oscillations near the electron plasma frequency (omega approx. less than omega sub p) are generated by electrodes with positive dc bias immersed in a uniform Maxwellian afterglow plasma. The instability occurs at the sheath-plasma resonance and is driven by a negative RF sheath resistance associated with the electron inertia in the diode-like electron-rich sheath. With increasing dc bias, i.e., electron transit time, the instability exhibits a hard threshold, downward frequency pulling, line broadening and copious harmonics. The fundamental instability is a bounded oscillation due to wave evanescence, but the harmonics are radiated as electromagnetic waves from the electrodes acting like antennas. Wavelength and polarization measurements confirm the emission process. Electromagnetic waves are excited by electrodes of various geometries (planes, cylinders, spheres) which excludes other radiation mechanisms such as orbitrons or beam-plasma instabilities. The line broadening mechanism was identified as a frequency modulation via the electron transit time by dynamic ions. Ion oscillations at the sheath edge give rise to burst-like RF emissions. These laboratory observations of a new instability are important for antennas in space plasmas, generation of coherent beams with diodes, and plasma diagnostics.

Stenzel, R. L.↗

Distributed-Roughness Effects on Stability and Transition In Swept-Wing Boundary Layers

Boundary-layer stability experiments are conducted in the Arizona State University Unsteady Wind Tunnel on a 45 deg swept airfoil. The pressure distribution and test conditions are designed to suppress Tollmien-Schlichting disturbances and provide crossflow-dominated transition. The surface of the airfoil is finely polished to a near mirror finish. Under these conditions, submicron surface irregularities cause the naturally occurring stationary crossflow waves to grow to nonuniform amplitudes. Spanwise-uniform stationary crossflow disturbances are generated through careful control of the initial conditions with full-span arrays of micron-high roughness elements near the attachment line. Detailed hot-wire measurements are taken to document the stationary crossflow structure and determine growth rates for the total and individual-mode disturbances. Naphthalene flow visualization provides transition location information. Roughness spacing and roughness height are varied to examine the effects on transition location and all amplified wavelengths. The measurements show that roughness spacings that do not contain harmonics equal to the most unstable wavelength as computed by linear stability theory effectively suppress the most unstable mode. Under certain conditions, subcritical roughness spacing delays transition past that of the corresponding smooth surface.

Carrillo, Ruben B., Jr.↗

Higher Efficiency, Demand Flexible Refrigerator with On-Demand Micro-Vibrational De-icing Technology

Refrigerator technology has advanced significantly over the last couple of decades. Today’s refrigerators use only about 25% of the energy that was required to power models built in 1975. Even as they continually improve efficiency to meet standards, refrigerators have increased in size by almost 20%, added energy-consuming features such as through-the-door ice, and provide more benefits than ever before. However, a few challenges and technology gaps are preventing further improvement of the demand responsiveness and efficiency of the refrigerators. One of the major technology gaps in existing refrigerators is their outdated de-icing process. When the evaporator generates frost, an old-fashioned resistive heating element melts the ice. Most refrigerators have a timed defrost cycle, rather than an active system that could monitor the state of the frost. In these systems, not only is the precious electricity used at its least efficient form of conversion (direct conversion of electricity to heat), but also all the latent heat associated with the ice is wasted during the melting process. On top of that, the refrigerator needs to work harder to pull the temperature down after defrosting, and, last but not least, the food quality is severely impacted by the temperature swings during the defrost cycle. According to a study, the EU alone wastes 89 million tons of food in the supply chain every year. Any temperature swing during defrosting (about 6F according to Emerson for low-temperature cases) can negatively impact the shelf life of meat and other products for multiple days. All these issues can happen during the peak demand time of the electric grid. Unlike the conventional systems, the proposed novel advanced micro-vibrational deicing process uses no heat for defrosting. Instead, it uses the micro vibrations generated by a piezoelectric or vibration-generating module to mechanically break ice from the heat exchanger almost instantaneously. The project titled “Higher Efficiency, Demand Flexible Refrigerator with On-Demand Micro-Vibrational De-icing Technology, performed by Ultrasonic Technology Solutions, LLC (UTS) of Knoxville, TN, in collaboration with Emerson (now Copeland), represents the final phase of a multi-year effort funded under the U.S. Department of Energy’s Building Technologies Office (BTO) BENEFIT FOA 2020. Initiated on October 1, 2021, and completed after a nine-month no-cost extension ending September 30, 2025, this project aimed to develop and validate a novel micro-vibrational mechanical defrosting system, achieving more than 25% improvement in defrosting energy efficiency over conventional baseline defrosting technologies. Over sixteen quarters, the project advanced from fundamental ice-mechanical characterization and prototype development to full-scale system integration and validation. Initial efforts established project management infrastructure and characterized ice adhesion properties, followed by the design and fabrication of early aluminum-based prototypes for resonance frequency testing. Subsequent quarters saw rapid technical progression, including the identification of optimal piezoelectric and motor-based vibration mechanisms, the demonstration of effective de-icing over 6x6-inch aluminum surfaces. The team achieved its Go/No-Go milestone by exceeding the 25% energy-efficiency improvement target—reaching up to 3,340% under optimized conditions—and later confirmed that motor-driven systems offered superior performance and energy efficiency compared to piezoelectric alternatives. Continued refinement led to the development of amplifier systems on printed circuit boards, improved control and instrumentation hardware, and integration into full-scale heat exchanger (HX) prototypes at both UTS and Copeland facilities. Multiple vibration-mounting studies and frost-growth experiments guided mechanical optimization and noise-mitigation strategies, achieving a 17.5 dB reduction in sound pressure level and verifying robust mechanical performance. Advanced analyses, including modal and harmonic simulations, established a quantitative understanding of vibrational behavior and de-icing efficiency across >1000 cm² systems. The final project phase successfully demonstrated scalable integration within reach-in and chest freezer prototypes, confirmed >25% efficiency improvements in large-area systems, and completed a comprehensive business model and scale-up strategy identifying electric defrost systems as the primary beachhead market. The culmination of this DOE-supported effort establishes micro-vibrational defrosting as a viable, high-efficiency, low-noise, and demand-flexible de-icing technology, paving the way for commercial deployment and broader application in next-generation refrigeration systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Quantum kinetic modeling of KEEN waves in a warm-dense regime

We report the first fully kinetic, quantum study of kinetic electrostatic electron nonlinear (KEEN) waves, showing that quantum diffraction systematically erodes the classical trapping mechanism, narrows harmonic locking to the fundamental, and hastens post-drive decay. Electrons are evolved with a second-order Strang-split 1D1V Wigner–Poisson solver that couples conservative semi-Lagrangian WENO advection to an analytic Fourier space update for the non-local Wigner term, while ions remain classical. We focus on collisionless dynamics in a weakly coupled regime, providing a controlled baseline before collisional extensions. Short, frequency-tuned ponderomotive pulses drive KEEN formation in a uniform Maxwellian plasma; as the dimensionless quantum parameter H rises from the classical limit to values relevant to warm-dense matter, doped semiconductors, and 2D electron systems, the drive threshold increases, higher harmonics are damped, trapped electron vortices diffuse, and the subplasma electrostatic energy relaxes to a lower stationary level, as confirmed by continuous wavelet analysis. These microscopic changes carry macroscopic weight. Ignition-scale capsules now compress matter to regimes where the electron de Broglie wavelength rivals the Debye length, making classical kinetic descriptions insufficient. By extending KEEN physics into this quantum domain, our results offer a potential diagnostic of non-equilibrium electron dynamics for next-generation inertial-confinement designs and high-energy-density platforms, indicating that predictive fusion modeling may benefit from the integration of kinetic fidelity with quantum effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On the role of the energy of suprathermal electrons in the generation of auroral kilometric radiation

The relativistic dispersion equation based on the cyclotron maser theory for a DGH energetic electron distribution is examined in order to identify and understand the physical conditions under which fundamental O mode and second harmonic X mode radiations can dominate over fundamental X mode emission in low density auroral kilometric radiation source regions. It is found that the energy of the auroral electrons can play a significant role in determining the dominant wave mode. The temporal and spatial growth rates of both the fundamental O mode as well as the second harmonic X mode remain high for energies as low as several hundred eV of the suprathermal electrons, while the fundamental X mode is suppressed for energies no higher than approximately 1 keV due to its relativistic resonance condition.

Wong, H. K.↗

Ultraviolet Molecular Rayleigh Scattering Used to Measure Velocity in High-Speed Flow

Molecular Rayleigh scattering offers a means to measure gas flow parameters including density, temperature, and velocity. No seeding of the flow is necessary. The Rayleigh scattered power is proportional to the gas density, the spectral width is related to the gas temperature, and the shift in the frequency of the spectral peak is proportional to one component of the fluid velocity. Velocity measurements based on Rayleigh scattering are more suitable for high-speed flow, where the bulk fluid velocity is on the order of, or larger than, the molecular thermal velocities. Use of ultraviolet wavelengths for Rayleigh scattering diagnostics is attractive for two reasons. First, the Rayleigh scattering cross section is proportional to the inverse 4th power of the wavelength. And second, the reflectivity of metallic surfaces is generally less than it is at longer wavelengths. This is of particular interest in confined flow situations, such as in small wind tunnels and aircraft engine components, where the stray laser light scattered from the windows and internal surfaces in the test facility limits the application of Rayleigh scattering diagnostics. In this work at the NASA Lewis Research Center, molecular Rayleigh scattering of the 266-nm fourth harmonic of a pulsed, injection seeded Nd:YAG (neodymium:yttriumaluminum- garnet) laser was used to measure velocity in a supersonic free air jet with a 9.3- mm exit diameter. The frequency of the Rayleigh scattered light was analyzed with a planar mirror Fabry-Perot interferometer used in a static imaging mode, with the images recorded on a cooled, high-quantum-efficiency charge-coupled discharge (CCD) camera. In addition, some unshifted light from the same laser pulse was imaged through the interferometer to generate a reference. Data were obtained with single laser pulses at velocities up to Mach 1.3. The measured velocities were in good agreement with velocities calculated from isentropic flow relations. Our conclusion from this study was that ultraviolet Rayleigh scattering is preferable in confined flow situations because of the increase in the ratio of Rayleigh scattering signal to stray laser light. On the other hand, in open flows, such as free jets and larger wind tunnels where stray laser light can be controlled, visible Rayleigh scattering is preferable.

Seasholtz, Richard G.↗

Growth of single crystals of organic salts with large second-order optical nonlinearities by solution processes for devices

Data obtained from the electric field induced second harmonic generation (EFISH) and Kurtz Powder Methods will be provided to MSFC for further refinement of their method. A theoretical model for predicting the second-order nonlinearities of organic salts is being worked on. Another task is the synthesis of a number of salts with various counterions. Several salts with promising SHG activities and new salts will be tested for the presence of two crystalline forms. The materials will be recrystallized from dry and wet solvents and compared for SHG efficiency. Salts that have a high SHG efficiency and no tendency to form hydrates will be documented. The synthesis of these materials are included in this report. A third task involves method to aid in the growth of large, high quality single crystals by solution processes. These crystals will be characterized for their applicability in the fabrication of devices that will be incorporated into optical computers in future programs. Single crystals of optimum quality may be obtained by crystal growth in low-gravity. The final task is the design of a temperature lowering single crystal growth apparatus for ground based work. At least one prototype will be built.

Leslie, Thomas M.↗

A Portable Infrasonic Detection System

During last couple of years, NASA Langley has designed and developed a portable infrasonic detection system which can be used to make useful infrasound measurements at a location where it was not possible previously. The system comprises an electret condenser microphone, having a 3-inch membrane diameter, and a small, compact windscreen. Electret-based technology offers the lowest possible background noise, because Johnson noise generated in the supporting electronics (preamplifier) is minimized. The microphone features a high membrane compliance with a large backchamber volume, a prepolarized backplane and a high impedance preamplifier located inside the backchamber. The windscreen, based on the high transmission coefficient of infrasound through matter, is made of a material having a low acoustic impedance and sufficiently thick wall to insure structural stability. Close-cell polyurethane foam has been found to serve the purpose well. In the proposed test, test parameters will be sensitivity, background noise, signal fidelity (harmonic distortion), and temporal stability. The design and results of the compact system, based upon laboratory and field experiments, will be presented.

Shams, Qamar A.↗

Vacuum deposition of χ(2) nonlinear organic single crystal films on silicon

Integrating second order nonlinear (χ(2)) optical materials on chip is an ongoing challenge for Si photonics. Noncentrosymmetric molecular crystals have the potential to deliver high χ(2) nonlinearity with good thermal stability, but so far have been limited to growth from solution or the melt, which are both difficult to control and scale up in manufacturing. Here, we show that large (>100 μm) single crystal domains of the nonlinear molecule 2-[3-(4-hydroxystyryl)-5,5-dimethylcyclohex-2-enylidene] malononitrile (OH1) can be grown monolithically on either glass or Si via vacuum evaporation, followed by a short thermal annealing step. The crystallites are tens of nanometer thick and exhibit strong second harmonic generation with their primary χ(2) tensor component lying predominantly in plane. Remarkably, we find that a single domain can grow uninterrupted through nearby channels etched on a Si wafer, which may provide a path to integrate OH1 on Si or Si3N4 waveguides for a broad range of χ(2)-based photonic integrated circuit functionality.

Physics↗

Experiments on the nonlinear characteristics of noise propagation from low and moderate Reynolds number supersonic jets

A series of experiments were conducted on high-speed model jets to identify and quantify the distortion of radiated noise by nonlinear propagation effects. The jets were operated in a low to moderate Reynolds number range, and the radiated noise was either broadband or discrete in frequency. Three condenser microphones were used to measure the waveforms propagated by the axisymmetric, cold model jets of Mach numbers 2.1 and 2.5. Relatively low Reynolds numbers were obtained by exhausting the jets into a low pressure anechoic test chamber. Nonlinear propagation distortion effects, such as wave steepening, harmonic generation and wave merging, were easily quantified. At a moderate Reynolds number, low frequency production and wave amalgamation, measured by a decrease in the zero crossings per unit time, were quantified in the propagation of sound away from the jet.

Gallagher, J. A.↗

Biomass Harmonization and SAR Analysis with the Multi-mission Algorithm and Analysis Platform (MAAP)

The Multi‐mission Algorithm and Analysis Platform (MAAP) is a collaborative effort between NASA and the European Space Agency (ESA) to support above ground biomass (AGB) research in an open science framework. MAAP brings together relevant data, algorithms, and computing capabilities in a common cloud environment to address the challenges of sharing and processing data from field, airborne and satellite measurements. MAAP was publicly released in October 2021, providing computing capabilities co-located with the data, a collaborative coding and analysis environment, and a set of interoperable tools and algorithms developed to support the estimation and visualization of data. MAAP has allowed scientists from both North America and Europe to collaborate on the generation and analysis/visualization of data derived from multiple, discipline-adjacent missions in an open, collaborative environment that has reached beyond traditional scientific investigation. MAAP has been used to support multiple scientific activities. To date, existing LiDAR data from multiple platforms has been calibrated with field measurements and combined for more comprehensive and accurate estimates of above ground biomass AGB; these LiDAR platforms include airborne (e.g. LVIS), the International Space Station (NASA’s Global Ecosystem Dynamics Investigation (GEDI), and satellites (e.g. ICESat-2). The current challenge is to effectively and seamlessly combine the aforementioned LiDAR-based data with new data sources such as P-band RADAR from ESA’s upcoming BIOMASS mission, existing ESA Sentinel-1 C-band SAR, and the 30 PB/yr of high cadence global coverage L-band SAR data from the upcoming NASA-ISRO SAR (NISAR) mission. Recent analysis using MAAP merged ICESat-2 and optical data (Harmonized Landsat Sentinel) produced the most comprehensively precise estimate of boreal-wide AGB to date. Another effort using MAAP is the production and open distribution of global comparisons of AGB map estimates, including from ICESat-2 and GEDI, to bolster stakeholder uptake for policy applications. These map estimates will feed into the Intergovernmental Panel on Climate Change (IPCC) database, likely aiding the next Global Carbon Stocktake of the UNFCCC. Furthermore, the biomass retrieval intercomparison exercise BRIX-2 could benefit from the MAAP providing standardized test cases (based on airborne campaign and spaceborne data) allowing the community to develop and apply retrieval algorithms based on these test cases, while forthcoming SAR data training curricula could also use the MAAP as a teaching and learning platform. The MAAP is meeting the challenges inherent in international, open science collaboration and large scale computing with a platform that is entirely open source and cloud native, using open standards for data access, manipulation, protocols, and formats. The MAAP data system consists of a dedicated data store whose data is indexed in an online catalog conforming to established metadata, application programmatic interfaces (APIs), and service interface standards, using an implementation of the open sourced NASA Common Metadata Repository. Federation of user identities allows users from either NASA or ESA to access and consume services from the other using a unified metadata catalog for the data utilized across the ESA and NASA MAAP platforms. Similarly, we are exploring how to increase interoperability to achieve a common approach to packaging, orchestrating and executing algorithms, with interoperable access to data for subsetting, fast browse, and cloud-optimized access, all using interoperable standards such as those from the Open Geospatial Consortium (OGC). Designed for interoperability, ESA and NASA utilize a common architecture for the software platform. It provides a cloud-based algorithm development environment (ADE) that enables scientists to develop algorithms collaboratively with access to the MAAP data catalog as well as other data archives. MAAP provides an Eclipse Che-based ADE supporting both Python and R languages, popular in this biomass community. Algorithms developed and containerized within the ADE can be deployed to run to thousands of computational nodes in the MAAP’s data processing system (DPS), dramatically speeding up processing and giving scientists a rapid, iterative turnaround of results. NASA’s implementation of the DPS is based on the Hybrid Science Data System (HySDS) framework, used by NASA flight projects to produce Earth science standard products.

cloud computing↗

Voltage source ac-to-dc converters for high-power transmitters

This work was done to optimize the design of the components used for the beam power supply, which is a component of the transmitters in the Deep Space Network (DSN). The major findings are: (1) the difference in regulation between a six-pulse and a twelve-pulse converter is at most 7 percent worse for the twelve-pulse converter; (2) the commutation overlap angle of a current source converter equals that of a voltage source converter with continuous line currents; (3) the sources of uncharacteristic harmonics are identified with SPICE simulation; (4) the use of an imperfect phase-shifting transformer for the twelve-pulse converter generates a harmonic at six times the line frequency; and (5) the assumptions usually made in analyzing converters can be relaxed with SPICE simulation. The results demonstrate the suitability of using SPICE simulation to obtain detailed performance predictions of ac-to-dc converters.

Cormier, R.↗

Numerical Simulation of Waves Driven by Plasma Currents Generated by Low-Frequency Alfven Waves in a Multi-Ion Plasma

When multi-ion plasma consisting of heavy and light ions is permeated by a low-frequency Alfven (LFA) wave, the crossed-electric-and-magnetic field (E x B), and the polarization drifts of the different ion species and the electrons could be quite different. The relative drifts between the charged-particle species drive waves, which energize the plasma. Using 2.5-dimensional (2.5-D) particle-in-cell simulations, we study this process of wave generation and its nonlinear consequences in terms of acceleration and heating plasma. Specifically, we study the situation for LFA wave frequency being lower than the heavy-ion cyclotron frequency in a multi-ion plasma. We impose such a wave to the plasma assuming that its wavelength is much larger than that of the waves generated by the relative drifts. For better understanding, the LFA-wave driven simulations are augmented by those driven by initialized ion beams. The driven high-frequency (HF) wave modes critically depend on the heavy ion density nh; for small values of nh, the lower hybrid (LH) waves dominate. On the other hand, for large nh a significantly enhanced level of waves occurs over a much broader frequency spectrum below the LH frequency and such waves are interpreted here as the ion Bernstein (IB) mode near the light ion cyclotron harmonics. Irrespective of the driven wave modes, both the light and heavy ions undergo significant transverse acceleration, but for the large heavy-ion densities, even the electrons are significantly accelerated in the parallel direction by the waves below the LH frequency. Even when the LFA wave drive is maintained, the ion heating leads to the cessation of HF wave excitation just after a few cycles of the former wave. On the basis of marginal stability seen in the simulations, an empirical relation for LFA wave amplitude, frequency and ion temperature is given.

Singh, Nagendra↗

Climate change signal in global agriculture emerges earlier in new generation of climate and crop models

Potential climate-related impacts on future crop yield are a major societal concern first surveyed in a harmonized multi-model effort in 2014. We report here on new 21st-century projections using ensembles of latest-generation crop and climate models. Results suggest markedly more pessimistic yield responses for maize, soybean, and rice compared to the original ensemble. Mean end-of-century maize productivity is shifted from +5 to -6% (SSP126) and +1 to -24% (SSP585) — explained by warmer climate projections and improved crop model sensitivities. In contrast, wheat shows stronger gains (+9 shifted to +18%, SSP585), linked to higher CO2 concentrations and expanded high-latitude gains. The ‘emergence’ of climate impacts — when the change signal emerges from the noise — consistently occurs earlier in the new projections for several main producing regions before 2040. While future yield estimates remain uncertain, these results suggest that major breadbasket regions will face distinct anthropogenic climatic risks sooner than previously anticipated.

climate change↗

Multiresolution Quantum Chemistry: Nonlinear Response Properties at the Basis Set Limit

We benchmark the accuracy of Dunning correlation-consistent Gaussian basis sets for computing frequencydependent second-order hyperpolarizabilities relevant to second-harmonic generation (SHG), using multiresolution analysis (MRA) as a reference. Basis set errors are analyzed using a unit-sphere representation of the effective hyperpolarizability vector, enabling direct assessment of directional error structure. We introduce a relative RMS total error metric that integrates directional deviations over the unit sphere and complement it with signed projection errors that distinguish over- and underestimation. Unsupervised clustering based on these signed directional metrics reveals four distinct convergence behaviors across a set of 68 molecules. Unitsphere visualizations of representative systems show that basis set errors are often highly anisotropic and localized along specific bond directions, even when global error measures appear small. Doubly augmented basis sets consistently outperform singly augmented ones, and core-polarization functions are required for uniform convergence in second-row systems. Overall, this work demonstrates that directional analysis combined with clustering provides a robust framework for understanding basis set convergence in nonlinear optical response properties.

Basis sets↗