Search NASA⌕ Search

SEARCH · Search NASA

Results for “FUNDAMENTAL INTERACTIONS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Far-field noise and internal modes from a ducted propeller at simulated aircraft takeoff conditions

The ducted propeller offers structural and acoustic benefits typical of conventional turbofan engines while retaining much of the aeroacoustic benefits of the unducted propeller. A model Advanced Ducted Propeller (ADP) was tested in the NASA Lewis Low-Speed Anechoic Wind Tunnel at a simulated takeoff velocity of Mach 0.2. The ADP model was designed and manufactured by the Pratt and Whitney Division of United Technologies. The 16-blade rotor ADP was tested with 22- and 40-vane stators to achieve cut-on and cut-off criterion with respect to propagation of the fundamental rotor-stator interaction tone. Additional test parameters included three inlet lengths, three nozzle sizes, two spinner configurations, and two rotor rub strip configurations. The model was tested over a range of rotor blade setting angles and propeller axis angles-of-attack. Acoustic data were taken with a sideline translating microphone probe and with a unique inlet microphone probe which identified inlet rotating acoustic modes. The beneficial acoustic effects of cut-off were clearly demonstrated. A 5 dB fundamental tone reduction was associated with the long inlet and 40-vane sector, which may relate to inlet duct geometry. The fundamental tone level was essentially unaffected by propeller axis angle-of-attack at rotor speeds of at least 96 percent design.

Woodward, Richard P.↗
NASA NTRS1992

Far-field noise and internal modes from a ducted propeller at simulated aircraft takeoff conditions

The ducted propeller offers structural and acoustic benefits typical of conventional turbofan engines while retaining much of the aeroacoustic benefits of the unducted propeller. A model Advanced Ducted Propeller (ADP) was tested in the NASA Lewis Low-Speed Anechoic Wind Tunnel at a simulated takeoff velocity of Mach 0.2. The ADP model was designed and manufactured by the Pratt and Whitney Division of United Technologies. The 16-blade rotor ADP was tested with 22- and 40-vane stators to achieve cut-on and cut-off criterion with respect to propagation of the fundamental rotor-stator interaction tone. Additional test parameters included three inlet lengths, three nozzle sizes, two spinner configurations, and two rotor rub strip configurations. The model was tested over a range of rotor blade setting angles and propeller axis angles-of-attack. Acoustic data were taken with a sideline translating microphone probe and with a unique inlet microphone probe which identified inlet rotating acoustic modes. The beneficial acoustic effects of cut-off were clearly demonstrated. A 5 dB fundamental tone reduction was associated with the long inlet and 40-vane sector, which may relate to inlet propeller axis angle-of-attack at rotor speeds of at least 96 percent design.

Woodward, Richard P.↗
DOE OSTI2019

Low-Resolution Models for the Interaction Dynamics of Coated Gold Nanoparticles with β2-microglobulin

A large number of low-resolution models have been proposed in the last decades to reduce the computational cost of molecular dynamics simulations for bio-nano systems, such as those involving the interactions of proteins with functionalized nanoparticles (NPs). For the proteins, “minimalist” models at the one-bead-per residue (Cα-based) level and with implicit solvent are well established. For the gold NPs, widely explored for biotechnological applications, mesoscale (MS) models treating the NP core with a single spheroidal object are commonly proposed. In this representation, the surface details (coating, roughness, etc.) are lost. These, however, and the specificity of the functionalization, have been shown to have fundamental roles for the interaction with proteins. We presented a mixed-resolution coarse-grained (CG) model for gold NPs in which the surface chemistry is reintroduced as superficial smaller beads. We compared molecular dynamics simulations of the amyloid β2-microglobulin represented at the minimalist level interacting with NPs represented with this model or at the MS level. Our finding highlights the importance of describing the surface of the NP at a finer level as the chemical-physical properties of the surface of the NP are crucial to correctly understand the protein-nanoparticle association.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Noncentrosymmetric Triangular Magnet CaMnTeO 6 : Strong Quantum Fluctuations and Role of s 0 versus s 2 Electronic States in Competing Exchange Interactions

Abstract Noncentrosymmetric triangular magnets offer a unique platform for realizing strong quantum fluctuations. However, designing these quantum materials remains an open challenge attributable to a knowledge gap in the tunability of competing exchange interactions at the atomic level. Here, a new noncentrosymmetric triangular S = 3/2 magnet CaMnTeO 6 is created based on careful chemical and physical considerations. The model material displays competing magnetic interactions and features nonlinear optical responses with the capability of generating coherent photons. The incommensurate magnetic ground state of CaMnTeO 6 with an unusually large spin rotation angle of 127°(1) indicates that the anisotropic interlayer exchange is strong and competing with the isotropic interlayer Heisenberg interaction. The moment of 1.39(1) µB , extracted from low‐temperature heat capacity and neutron diffraction measurements, is only 46% of the expected value of the static moment 3 µB . This reduction indicates the presence of strong quantum fluctuations in the half‐integer spin S = 3/2 CaMnTeO 6 magnet, which is rare. By comparing the spin‐polarized band structure, chemical bonding, and physical properties of AMnTeO 6 ( A = Ca, Sr, Pb), how quantum‐chemical interpretation can illuminate insights into the fundamentals of magnetic exchange interactions, providing a powerful tool for modulating spin dynamics with atomically precise control is demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Semiclassical approach to dynamics of interacting fermions

Understanding the behaviour of interacting fermions is of fundamental interest in many fields ranging from condensed matter to high energy physics. Developing numerically efficient and accurate simulation methods is an indispensable part of this. Already in equilibrium, fermions are notoriously hard to handle due to the sign problem. Out of equilibrium, an important outstanding problem is the efficient numerical simulation of the dynamics of these systems. In this work we develop a new semiclassical phase-space approach (a.k.a. the truncated Wigner approximation) for simulating the dynamics of interacting fermions in arbitrary dimensions. As fermions are essentially non-classical objects, a phase-space is constructed out of all fermionic bilinears. Classical phase-space is thus comprised of highly non-local (hidden) variables representing these bilinears, and the cost of the method is that it scales quadratic rather than linear with system size. We demonstrate the strength of the method by comparing the results to the exact quantum dynamics of fermion expansion in the Hubbard model and quantum thermalization in the Sachdev–Ye–Kitaev (SYK) model for small systems, where the semiclassics nearly perfectly reproduces correct results. We furthermore analyse fermion expansion in a larger, intractable by exact methods, 2D Hubbard model, which is directly relevant to recent cold atom experiments. - Highlights: • We propose a semiclassical method to simulate dynamics of interacting fermions. • A phase-space is constructed out of all fermionic bilinears. • We study quantum thermalization in the Sachdev–Ye–Kitaev model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRSDate not supplied

Source Diagnostic Fan II (22-inch) Duct Mode Characteristics as Measured by the Rotating Rake Mode Measurement System while Operated in the NASA Glenn 9x15 Low Speed Wind Tunnel

The second entry of the Source Diagnostic Test (SDT2) was a continuation of the first SDT entry with additional parameters tested. The rotor, stators, and general flow path hardware used in SDT2 were the same as those for SDT1. This included a radial baseline set of stator vanes, which had a vane count such that the rotor-stator interaction at the fan blade passing fundamental was cut-off, as is typical for modern turbofans. Two sets of stator vanes were designed and tested with a count generating a cut-on rotor-stator interaction at the fan blade passing fundamental. One of the sets maintained the no aerodynamic sweep as the radial baseline, the other was designed with leading edge sweep with the intent to generate lower noise. The NASA Glenn Research Center’s Rotating Rake Mode Measurement System was utilized to obtain a complete map of the acoustic duct modes present. The system is a radial rake immersed into the duct that continuously rotates about the duct centerline. For each of the three stator vane configurations, data were acquired at several different fan speeds which included nominal, approach, cutback, and takeoff conditions. Analysis of the mode power level results at the fan fundamentals showed the improved designed set resulted in lower rotor-stator interaction mode acoustic levels. Multiple-pure tones generated by the M5 rotor in the inlet were also measured.

Turbofan, Duct Modes↗
NASA NTRSDate not supplied

Source Diagnostic Fan II (22-inch) Duct Mode Characteristics as Measured by the Rotating Rake Mode Measurement System while Operated in the NASA Glenn 9x15 Low Speed Wind Tunnel

The second entry of the Source Diagnostic Test (SDT2) was a continuation of the first SDT entry with additional parameters tested. The rotor, stators, and general flow path hardware used in SDT2 were the same as those for SDT1. This included a radial baseline set of stator vanes, which had a vane count such that the rotor-stator interaction at the fan blade passing fundamental was cut-off, as is typical for modern turbofans. Two sets of stator vanes were designed and tested with a count generating a cut-on rotor-stator interaction at the fan blade passing fundamental. One of the sets maintained the no aerodynamic sweep as the radial baseline, the other was designed with leading edge sweep with the intent to generate lower noise. The NASA Glenn Research Center’s Rotating Rake Mode Measurement System was utilized to obtain a complete map of the acoustic duct modes present. The system is a radial rake emersed into the duct that continuously rotates about the duct centerline. For each of the three stator vane configurations, data were acquired at several different fan speeds which included nominal, approach, cutback, and takeoff conditions. Analysis of the mode power level results at the fan fundamentals showed the improved designed set resulted in lower rotor-stator interaction mode acoustic levels. Multiple-pure tones generated by the M5 rotor in the inlet were also measured.

Turbofan↗
DOE OSTI2023

Soliton formation and topology manipulation of coupled spins via ultrafast re-magnetization

The major goal of the project was to explore the properties of magnetic order driven far out of equilibrium by optical excitations. These include fundamental questions related to the interplay of magnetic, structural and electronic degrees of freedom in materials that are optically excited. These problems break down in short term quenching of the magnetization as a results of the energy of the optical pulse studying how the energy of the optical pulse and the angular momentum of the magnetization flow between the different degrees of freedom. This is followed by the longer time re-emergence of the magnetism as the system cools. Within this goal we explored the formation of solitons, both with and without non-trivial topology, via rapid re-magnetization processes after optical-driven ultrafast demagnetization. Guided by theory, we predict that turbulence and modulational instabilities will drive the formation of solitons, including dispersive shock waves, magnon droplets, and skyrmions. In the case of topological defect formation, i.e. skyrmion generation, related processes have long been predicted based on general principles of symmetry-breaking phase transitions; the density of topological defects in a long-range-ordered phase can be controlled by varying the quench rate through the second-order phase transition, i.e. the Kibble-Zurek (KZ) mechanism. We, more broadly, had the goal to study a range of other emergent magnetic behaviors after optical excitation. While great attention has been given to ultrafast demagnetization, less is known of the subsequent spin dynamics and coupling to the lattice. What is increasingly appreciated is that ultrafast demagnetization leads to spin currents that can carry angular momentum from the rapidly demagnetized sample. These spin currents appear in many ways but fundamentally controls demagnetization, drives interactions between regions of the material, and control the spin resulting structure. They can be probed many ways including THz emission which, in turn, gives insight into the demagnetization processes. Simultaneously if there is magneto-elastic coupling ultrafast demagnetization can drive structural excitations that are not expected from thermal energy added to the lattice. We explored a range of complex phenomena that arise from photo-excitation of magnetic systems with the coupling of electronic, magnetic and structural degrees of freedom. We have made a number of fundamental discoveries that are reflected in our publications list with additional work still being prepared for publication. Highlights of this work include (i) ultra-efficient, nonlinear THz surface acoustics (ii) spin-current-mediated rapid magnon localization and coalescence, (iii) spin-wave soliton formation in ferromagnetic FePt nanoparticles, (iv) dynamic phonon coupling in elemental antiferromagnetic Cr, (v) THz emission from Co/Pt bilayers and FeRh/Pt bilayers, (vi) theoretical investigation of spin hydrodynamics, solitons and shock waves, and (vii) ultrafast perturbation of magnetic domains by optical pumping.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Gas-phase measurements of combustion interaction with materials for radiation-cooled chambers

Foil samples of Ir and Pt are exposed to combustion products in a controlled premixed environment at atmospheric pressure. Electrical heating of the foil samples is used to control the surface temperature and to elevate it above the radiative equilibrium temperature within the test apparatus. Profiles of temperature and OH concentration in the boundary layer adjacent to the specimen surface are measured by laser-induced fluorescence. Measured OH concentrations are significantly higher than equilibrium concentrations calculated for the known mixture ratio and the measured temperature profiles. This result indicates that superequilibrium concentrations of H-atoms and O-atoms are also present in the boundary layer, due to partial equilibrium of the rapid binary reactions of the H2/O2 chemical kinetic system. These experiments are conducted as part of a research program to investigate fundamental aspects of the interaction of combustion gases with advanced high-temperature materials for radiation-cooled thrusters.

Barlow, R. S.↗
DOE OSTI2014

Vortex jump behavior in coupled nanomagnetic heterostructures

The spin configuration and magnetic behavior in patterned nanostructures can be controlled by manipulating the interplay between the competing energy terms. This in turn requires fundamental knowledge of the magnetic interactions at the local nanometer scale. Here in this article, we report on the spin structure and magnetization behavior of patterned discs containing exchange coupled ferromagnetic layers with additional exchange bias to an antiferromagnetic layer. The magnetization reversal was explored by direct local visualization of the domain behavior using in-situ Lorentz transmission electron microscopy, from which quantitative magnetic induction maps were reconstructed. The roles of the main competing energy terms were elucidated and the reversal mechanism was identified as a coupled phenomenon of incoherent rotation in the exchange-biased layer and localized vortex nucleation and discontinuous propagation in the free layer, including an anomalous jump in the trajectory. The observations were supported by micromagnetic simulations and modeled phase shift simulations. In conclusion, the work presented here provides fundamental insights into opportunities for macroscopic control of the energy landscape of magnetic heterostructures for functional applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spatiotemporal Metabolic Network Models Reveal Complex Autotroph-Heterotroph Biofilm Interactions Governed by Photon Incidences

Autotroph-heterotroph interactions are ubiquitous in natural environment and play a key role in controlling various essential ecosystem functions, such as production and utilization of organic matter, cycling of nitrogen, sulfur, and other chemical elements. Understanding how these biofilm metabolic interactions are constrained in space and time remains challenging because fully predictive models designed for this purpose are currently limited. Toward filling this gap, here we developed community metabolic network models for two autotroph-heterotroph biofilm consortia (termed UCC-A and UCC-O), which share a suite of common heterotrophic members but have a single distinct photoautotrophic cyanobacterium (Phormidesmis priestleyi str. ANA and Phormidium sp. OSCR) that provides organic carbon and nitrogen sources to support the growth of heterotrophic partners. After determining model parameters by data fitting using the spatiotemporal distributions of microbial abundances, we comparatively analyzed the resulting biofilm models to examine any fundamental differences in microbial interactions between the two consortia under the variation of key environmental variables: CO2 and photon levels. The UCC-A model predicted generally expected responses, i.e., the autotroph population increased in response to elevated levels of CO2 and photon, followed by increase in the heterotroph population. In contrast, the UCC-O model showed somewhat complicated dynamics, e.g., higher photon incidence rates resulted in the increase in autotroph population but decrease in heterotroph population due to the lowered provision of glucose from the autotroph. A further analysis showed that species coexistence was governed by the photon incidences rather than the carbon availability for UCC-O, which was the opposite for UCC-A.

Phalak, Poonam↗
DOE OSTI2014

Interface-assisted molecular spintronics

Molecular spintronics, a field that utilizes the spin state of organic molecules to develop magneto-electronic devices, has shown an enormous scientific activity for more than a decade. But, in the last couple of years, new insights in understanding the fundamental phenomena of molecular interaction on magnetic surfaces, forming a hybrid interface, are presenting a new pathway for developing the subfield of interface-assisted molecular spintronics. The recent exploration of such hybrid interfaces involving carbon based aromatic molecules shows a significant excitement and promise over the previously studied single molecular magnets. In the above new scenario, hybridization of the molecular orbitals with the spin-polarized bands of the surface creates new interface states with unique electronic and magnetic character. This study opens up a molecular-genome initiative in designing new handles to functionalize the spin dependent electronic properties of the hybrid interface to construct spin-functional tailor-made devices. Through this article, we review this subject by presenting a fundamental understanding of the interface spin-chemistry and spin-physics by taking support of advanced computational and spectroscopy tools to investigate molecular spin responses with demonstration of new interface phenomena. Spin-polarized scanning tunneling spectroscopy is favorably considered to be an important tool to investigate these hybrid interfaces with intra-molecular spatial resolution. Finally, by addressing some of the recent findings, we propose novel device schemes towards building interface tailored molecular spintronic devices for applications in sensor, memory, and quantum computing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

A Succession of Cloud, Precipitation, Aerosol and Air Quality Field Experiments in the Coastal Urban Environment

The interactions and feedbacks among clouds, aerosols, pollutants, and the thermodynamic and kinematic environment remains an area of active research with important implications for our understanding of climate, weather and air quality. These linkages are further complicated in coastal and urban environments where local circulations and anthropogenic influences impact each of these components and their interactions. Within this context, fundamental questions regarding the lifecycle of convective clouds, aerosols and pollutants have brought together a diverse, integrated, and interagency collaboration of scientists to collect and analyze measurements, in the Houston, Texas, area, from the summer of 2021 through the summer of 2022, with subsequent modeling studies to address these important research objectives. Herein, the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Facility and Atmospheric System Research (ASR) Program, the National Science Foundation’s (NSF) Physical and Dynamic Meteorology Program, the National Aeronautic and Space Administration’s (NASA’s) Tropospheric Composition Research and Health and Air Quality Applied Sciences Programs and the Texas Commission on Environmental Quality (TCEQ) are collaborating on a joint set of field campaigns to study the interactions of cloud, aerosol, and pollutants within the coastal, urban environment. In the Houston area, onshore flow from the Gulf of Mexico and the associated sea breeze circulation generates numerous isolated convective cells, particularly in the summer months, that interact with a variety of urban and industrial emissions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Spin-wave-driven high-speed domain-wall motions in soft magnetic nanotubes

We report on a micromagnetic simulation study of interactions between propagating spin waves and a head-to-head domain wall in geometrically confined magnetic nanotubes. We found that incident spin waves of specific frequencies can lead to sufficiently high-speed (on the order of a few hundreds of m/s or higher) domain-wall motions in the same direction as that of the incident spin-waves. The domain-wall motions and their speed vary remarkably with the frequency and the amplitude of the incident spin-waves. High-speed domain-wall motions originate from the transfer torque of spin waves' linear momentum to the domain wall, through the partial or complete reflection of the incident spin waves from the domain wall. This work provides a fundamental understanding of the interaction of the spin waves with a domain wall in the magnetic nanotubes as well as a route to all-magnetic control of domain-wall motions in the magnetic nanoelements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

On Optical Dipole Moment and Radiative Recombination Lifetime of Excitons in WSe 2

Optical dipole moment is the key parameter of optical transitions, as it directly determines the strength of light–matter interaction such as intrinsic radiative lifetime. However, experimental determination of these fundamental properties of excitons in monolayer WSe 2 is largely limited, because the commonly used measurement, such as (time-resolved) photoluminescence, is inherently difficult to probe the intrinsic properties. For example, dark states below bright exciton can change the photoluminescence emission rate by orders of magnitude and gives an “effective” radiative lifetime distinctive from the intrinsic one. On the other hand, such “effective” radiative lifetime becomes important itself because it describes how dark states affect exciton dynamics. Unfortunately, the “effective” radiative lifetime in monolayer WSe 2 is also not determined as it requires photoluminescence measurement with resonant excitation, which is technically difficult. These difficulties are overcome here to obtain both the “intrinsic” and “effective” radiative lifetime experimentally. A framework is developed to determine the dipole moment and “intrinsic” radiative lifetime of delocalized excitons in monolayer WSe 2 from the absorption measurements. In addition, the “effective” radiative lifetime in WSe 2 is obtained through time-resolved photoluminescence and absolute quantum-yield measurement at resonant excitation. These results provide helpful information for fundamental understanding of exciton light–matter interaction in WSe 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2019

Stable Isotope Fractionation by Transport and Transformation

Of the 92 elements naturally present on modern Earth, only 21 are monotopic. The remainder are composed of multiple isotopes, many of which are either stable or decay over such extraordinarily long timescales that they may be considered effectively stable for appropriate applications. Additionally,these isotopes of a given element are distinguished by the number of neutrons within their nucleus, resulting in subtle differences in mass. Though most fundamental characteristics of the isotopes of a given element are the same (e.g., charge, atomic number), their relative distributions in natural environments are altered as they are subjected to a range of mass- dependent transport and transformation processes. Urey and colleagues first demonstrated this mass-dependent partitioning within a thermodynamic framework (Urey 1947). Decades later, these small differences in isotopic abundances serve as the foundation for a suite of powerful diagnostic tools applied broadly across the Earth Sciences, constituting essential capabilities within the disciplines of hydrology, oceanography, petrology, paleoclimate, planetary science, paleontology, ecology, and microbiology, among others. In the following chapter, we review multiple pathways of isotopic fractionation and their treatment within numerical reactive transport frameworks. We focus on near-surface hydrologic systems hosting a variety of water–rock–life interactions which reflect a fundamental balance between transport and transformation. Such conditions describe a wide variety of environments, ranging from the cycling of water through terrestrial ecosystems, to the burial of carbonates in marine sediments, to the metabolism of microbes. We begin with consideration of simple fractionation in the absence of transport, followed by sequential addition of common transport influences with an emphasis on the unique information contained within isotopic observations in these systems. Lastly, we turn to more ‘complex’ reactive pathways that are not easily described by single unidirectional conversions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2004

Fuselage Structure Response to Boundary Layer, Tonal Sound, and Jet Noise

Experiments have been conducted to study the response of curved aluminum and graphite-epoxy fuselage structures to flow and sound loads from turbulent boundary layer, tonal sound, and jet noise. Both structures were the same size. The aluminum structure was reinforced with tear stoppers, while the graphite-epoxy structure was not. The graphite-epoxy structure weighed half as much as the aluminum structure. Spatiotemporal intermittence and chaotic behavior of the structural response was observed, as jet noise and tonal sound interacted with the turbulent boundary layer. The fundamental tone distributed energy to other components via wave interaction with the turbulent boundary layer. The added broadband sound from the jet, with or without a shock, influenced the responses over a wider range of frequencies. Instantaneous spatial correlation indicates small localized spatiotemporal regions of convected waves, while uncorrelated patterns dominate the larger portion of the space. By modifying the geometry of the tear stoppers between panels and frame, the transmitted and reflected waves of the aluminum panels were significantly reduced. The response level of the graphite-epoxy structure was higher, but the noise transmitted was nearly equal to that of the aluminum structure. The fundamental shock mode is between 80 deg and 150 deg and the first harmonic is between 20 deg and 80 deg for the underexpanded supersonic jet impinging on the turbulent boundary layer influencing the structural response. The response of the graphite-epoxy structure due to the fundamental mode of the shock impingement was stabilized by an externally fixed oscillator.

Maestrello, L.↗
DOE OSTI2014

Charge separation at nanoscale interfaces: Energy-level alignment including two-quasiparticle interactions

The universal and fundamental criteria for charge separation at interfaces involving nanoscale materials are investigated. In addition to the single-quasiparticle excitation, all the two-quasiparticle effects including exciton binding, Coulomb stabilization, and exciton transfer are considered, which play critical roles on nanoscale interfaces for optoelectronic applications. We propose a scheme allowing adding these two-quasiparticle interactions on top of the single-quasiparticle energy level alignment for determining and illuminating charge separation at nanoscale interfaces. Employing the many-body perturbation theory based on Green's functions, we quantitatively demonstrate that neglecting or simplifying these crucial two-quasiparticle interactions using less accurate methods is likely to predict qualitatively incorrect charge separation behaviors at nanoscale interfaces where quantum confinement dominates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗