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The expressions for two-center overlap integrals between angular s, p, and d Slater orbitals of arbitrary, higher principal quantum number are explicitly listed. The expressions obtained are extremely compact and independent of the coordinate system. It is further shown that the numerical values of the integrals obtained in this way are free from any numerical instability.
The conception of quantum chaos is described in some detail. The most striking feature of this novel phenomenon is that all the properties of classical dynamical chaos persist here but, typically, on the finite and different time scales only. The ultimate origin of such a universal quantum stability is in the fundamental uncertainty principle which makes discrete the phase space and, hence, the spectrum of bounded quantum motion. Reformulation of the ergodic theory, as a part of the general theory of dynamical systems, is briefly discussed.
Multi-junction solar cells are attractive for space applications because they can be designed to convert a larger fraction of AMO into electrical power at a lower cost than single-junction cells. The performance of multi-junction cells is much more sensitive to the spectral irradiance of the illuminating source than single-junction cells. The design of high efficiency multi-junction cells for space applications requires matching the optoelectronic properties of the junctions to AMO spectral irradiance. Unlike single-junction cells, it is not possible to carry out quantum efficiency measurements using only a monochromatic probe beam and determining the cell short-circuit current assuming linearity of the quantum efficiency. Additionally, current-voltage characteristics can not be calculated from measurements under non-AMO light sources using spectral-correction methods. There are reports in the literature on characterizing the performance of multi junction cells by measuring and convoluting the quantum efficiency of each junction with the spectral irradiance; the technique is of limited value for the characterization of cell performance under AMO power-generating conditions. We report the results of research to develop instrumentation and techniques for characterizing multi junction solar cells for space . An integrated system is described which consists of a standard lamp, spectral radiometer, dual-source solar simulator, and personal computer based current-voltage and quantum efficiency equipment. The spectral radiometer is calibrated regularly using the tungsten-halogen standard lamp which has a calibration based on NIST scales. The solar simulator produces the light bias beam for current-voltage and cell quantum efficiency measurements. The calibrated spectral radiometer is used to 'fit' the spectral irradiance of the dual-source solar simulator to WRL AMO data. The quantum efficiency apparatus includes a monochromatic probe beam for measuring the absolute cell quantum efficiency at various voltage biases, including the voltage bias corresponding to the maximum-power point under AMO light bias. The details of the procedures to 'fit' the spectral irradiance to AMO will be discussed. An assessment of the role of the accuracy of the 'fit' of the spectral irradiance and probe beam intensity on measured cell characteristics will be presented. quantum efficiencies were measured with both spectral light bias and AMO light bias; the measurements show striking differences. Spectral irradiances were convoluted with cell quantum efficiencies to calculate cell currents as function of voltage. The calculated currents compare with measured currents at the 1% level. Measurements on a variety of multi-junction cells will be presented. The dependence of defects in junctions on cell quantum efficiencies measured under light and voltage bias conditions will be presented. Comments will be made on issues related to standards for calibration, and limitations of the instrumentation and techniques. Expeditious development of multi-junction solar cell technology for space presents challenges for cell characterization in the laboratory.
Planetary exploration has pointed out the need for accurate electron impact excitation cross sections for H 2 . The quantum yield in the threshold energy region between vacuum ultraviolet (VUV) emission production by the band systems of the singlet and triplet states and dissociative production of fast H(1s) atoms by the triplet states is essential for energy budget modeling in planetary atmospheres and astronomy.
This presentation presents the testing approach and initial laboratory test results of the Adaptive Optics (AO) Subassembly (AOS) for the Low-Cost Optical Terminal (LCOT), a low-cost and flexible optical communications ground terminal. Leveraging commercial components and subassemblies wherever possible, LCOT is being developed by the NASA Goddard Space Flight Center (GSFC) Advanced Communications Capabilities for Exploration and Science Systems (ACCESS) project. An economical ground terminal allows NASA to create a global optical terminal network and enables the expansion of direct-to-Earth (DTE) optical communications. Located at the Goddard Geophysical and Astronomical Observatory (GGAO), LCOT is in the development phase and will receive first light during initial testing beginning in 2023. This new optical terminal includes a 700 mm Ritchey-Chretien commercial telescope, able to track Low Earth Orbit (LEO) spacecraft, receive instruments specified from 1500 - 1600 nm, and an uplink transmit optical system. Demodulation of optical coherent modulation formats requires downlink signal coupling into single-mode fiber. Due to atmospheric turbulence, signals experience wavefront distortions creating speckle patterns larger than the fiber core and high jitter requiring precise beam steering. AO is necessary to correct atmospheric turbulence effects and allow efficient coupling of received signals. In 2020, GSFC contracted with General Atomics to provide the LCOT AO system. This system has been delivered to GSFC in September 2021 and has been tested in laboratory to evaluate performance. This paper describes the laboratory testing approach, turbulence phase plate design, test results, and the AO field testing plan when installed on the LCOT telescope.
In a high temperature combustion situation such as a gas turbine or rocket engine, combustion products include water vapor. This water vapor reacts with oxides in the hot-gas-path to form volatile hydroxides and oxyhydroxides. The oxides may be structural oxide components or protective oxides on alloys or non-oxide ceramics. In either case, this enhanced volatilization leads to degradation of components. Reliable thermochemical data for many metal hydroxides and oxyhydroxides has not been available. We review a database put together at NASA over many years based on experimental and ab initio computations for thermochemical data of Al, Si, Ti, Cr, Mn, Y, Zr, La, Ta, Gd, and Yb hydroxides and oxyhydroxides. Experimental methods for measuring thermodynamic quantities of metal hydroxides and oxyhydroxides are limited since the required high temperatures and high pressures preclude many conventional methods. Nonetheless, transpiration has proven a valuable tool in our laboratories for the Si-O-H, Cr-O-H, and Ti-O-H systems. Data are analyzed with second and third law methods. These data can be leveraged with quantum chemistry to provide reliable free energy functions for the third law calculation and comparison to the derived enthalpies of formation. Both wave function and DFT methods can be utilized for deriving the thermodynamic functions for the various metal hydroxides and oxyhydroxides. We have found that, in general, reasonable molecular geometries and spectroscopic data can be derived with a relatively low level of theory, i.e. DFT with the B3LYP functional. Accurate calculations of the enthalpy of formation require higher levels of theory, such as the Coupled Cluster, Singles, Doubles, and perturbative Triples CCSD(T) approach with complete basis sets (CBS). Also, corrections for hindered rotations and anharmonicity are necessary. For some symmetries, the anharmonic correction has proven to be a challenge and we have found that this is only treated properly by certain codes. The database lists the fHo(298), So(298), and Cp in the form Cp = A + BT + CT2 + D/T + E/T2, where A, B, C, D, and E are the fitting constants. Thus, it can be easily used in any of the common computational thermochemistry codes. To date, the database contains 51 gaseous species of the formula MOx(OH)y.
Photocatalysis, the oxidation or reduction of contaminants by light-activated catalysts, utilizing titanium dioxide (TiO2) as the catalytic substrate has been widely studied for trace contaminant control in both air and water applications. The interest in this process is due primarily to its low energy consumption and capacity for catalyst regeneration. Titanium dioxide requires ultraviolet light for activation due to its relatively large band gap energy of 3.2 eV. Traditionally, Hg-vapor fluorescent light sources are used in PCO reactors; however, the use of mercury precludes the use of this PCO technology in a spaceflight environment due to concerns over crew Hg exposure. The development of a visible-light responsive (VLR) TiO2-based catalyst would eliminate the concerns over mercury contamination. Further, VLR development would allow for the use of ambient visible solar radiation or highly efficient LEDs, both of which would make PCO approaches more efficient, flexible, economical, and safe. Though VLR catalyst development has been an active area of research for the past two decades, there are few commercially available VLR catalysts. Those VLR catalysts that are commercially available do not have adequate catalytic activity, in the visible region, to make them competitive with those operating under UV irradiation. This study was initiated to develop more effective VLR catalysts through a novel method in which quantum dots (QD) consisting of narrow band gap semiconductors (e.g., CdS, CdSe, PbS, ZnSe, etc.) are coupled to TiO2 via two preparation methods: 1) photodeposition and 2) mechanical alloying using a high-speed ball mill. A library of catalysts was developed and screened for gas and aqueous phase applications using ethanol and 4-chlorophenol as the target contaminants, respectively. Both target compounds are well studied in photocatalytic systems and served as model contaminants for this research. Synthesized catalysts were compared in terms of preparation method, nature of the quantum dots, and dosage of quantum dots.
Quantum Entanglement Molecular Absorption Spectrum Simulator (QE-MASS) is a computer program for simulating two photon molecular-absorption spectroscopy using quantum-entangled photons. More specifically, QE-MASS simulates the molecular absorption of two quantum-entangled photons generated by the spontaneous parametric down-conversion (SPDC) of a fixed-frequency photon from a laser. The two-photon absorption process is modeled via a combination of rovibrational and electronic single-photon transitions, using a wave-function formalism. A two-photon absorption cross section as a function of the entanglement delay time between the two photons is computed, then subjected to a fast Fourier transform to produce an energy spectrum. The program then detects peaks in the Fourier spectrum and displays the energy levels of very short-lived intermediate quantum states (or virtual states) of the molecule. Such virtual states were only previously accessible using ultra-fast (femtosecond) laser systems. However, with the use of a single-frequency continuous wave laser to produce SPDC photons, and QEMASS program, these short-lived molecular states can now be studied using much simpler laser systems. QE-MASS can also show the dependence of the Fourier spectrum on the tuning range of the entanglement time of any externally introduced optical-path delay time. QE-MASS can be extended to any molecule for which an appropriate spectroscopic database is available. It is a means of performing an a priori parametric analysis of entangled photon spectroscopy for development and implementation of emerging quantum-spectroscopic sensing techniques. QE-MASS is currently implemented using the Mathcad software package.
The novel wave-packet propagation scheme presented is based on the time-dependent form of the Lippman-Schwinger integral equation and does not require extensive matrix inversions, thereby facilitating application to systems in which some degrees of freedom express the potential in a basis expansion. The matrix to be inverted is a function of the kinetic energy operator, and is accordingly diagonal in a Bessel function basis set. Transition amplitudes for various orbital angular momentum quantum numbers are obtainable via either Fourier transform of the amplitude density from the time to the energy domain, or the direct analysis of the scattered wave packet.
Dynamics of two-level atoms interacting with their own radiation field in a single-mode high-quality resonator is considered. The dynamical system consists of two second-order differential equations, one for the atomic SU(2) dynamical-group parameter and another for the field strength. With the help of the maximal Lyapunov exponent for this set, we numerically investigate transitions from regularity to deterministic quantum chaos in such a simple model. Increasing the collective coupling constant b is identical with 8(pi)N(sub 0)(d(exp 2))/hw, we observed for initially unexcited atoms a usual sharp transition to chaos at b(sub c) approx. equal to 1. If we take the dimensionless individual Rabi frequency a = Omega/2w as a control parameter, then a sequence of order-to-chaos transitions has been observed starting with the critical value a(sub c) approx. equal to 0.25 at the same initial conditions.
Phase 1 of this work involved design work on a momentum transfer device. The progress on design and testing will be presented. Phase 2 involved the systematic study of the MPD thruster for dual uses. Though it was designed as a thruster for space vehicles, the characteristics of the plasma make it an excellent candidate for industrial applications. This project sought to characterize the system for use in materials processing and characterization. The surface modification on ZnCdTe, CdTe, and ZnTe will be presented. Phase 3 involved metal colloids and semiconductor quantum dots. One aspect of this project involves a collaborative effort with the Solid State Division of ORNL. The thrust behind this research is to develop ion implantation for synthesizing novel materials (quantum dots wires and wells, and metal colloids) for applications in all optical switching devices, up conversion, and the synthesis of novel refractory materials. The ions of interest are Au, Ag, Cd, Se, In, P, Sb, Ga, and As. The specific materials of interest are: CdSe, CdTe, InAs, GaAs, InP, GaP, InSb, GaSb, and InGaAs. A second aspect of this research program involves using porous glass (25-200 A) for fabricating materials of finite size. The results of some of this work will also be reported.
This paper reports the result of a calculation which shows the effect of damping on the quantum interference of two Gaussian wave packets in a harmonic potential. The influence-functional method, which seems to be the most appropriate one for this kind of calculation, is used. It is shown that quantum-interference effects are severely diminished by the presence of damping even when its influence on the system is only light. The corrections to the undamped formulas are always expressible in terms of the phenomenological damping constant, the temperature (in the high-temperature limit), the cutoff frequency of the reservoir oscillators, and the mean number of quanta of energy intially present in the system. Both weakly and strongly damped systems are analyzed in the regime of low and high temperatures.
A novel device is described which combines the high quantum efficiency of a photoelectric detector with the high energy resolution of a dispersive spectrometer in a system that operates simultaneously over the whole AXAF bandpass. It is basically an X-ray calorimeter, in which the temperature rise of an X-ray absorber following the deposition of energy from a single X-ray photon can be measured to an accuracy expected to be of order one part in 1000 at 6 keV.
A theoretical framework based on Huckel tight-binding model has been formulated to analyze the electronic structure of carbon nanotubes under uniform deformation. The model successfully quantifies the dispersion relation, density of states and bandgap change of nanotubes under uniform stretching, compression, torsion and bending. Our analysis shows that the shifting of the Fermi point away from the Brillouin zone vertices is the key reason for these changes. As a result of this shifting, the electronic structure of deformed carbon nanotubes varies dramatically depending on their chirality and deformation mode. Treating the Fermi point as a function of strain and tube chirality, the analytical solution preserves the concise form of undeformed carbon nanotubes. It predicts the shifting, merging and splitting of the Van Hove singularities in the density of states and the zigzag pattern of bandgap change under strains. Four orbital tight-binding simulations of carbon nanotubes under uniform stretching, compression, torsion and bending have been performed to verify the analytical solution. Extension to more complex systems are being performed to relate this analytical solution to the spectroscopic characterization, device performance and proposed quantum structures induced by the deformation. The limitations of this model will also be discussed.
The possibility of nanolithography of silicon and germanium surfaces with bare carbon nanotube tips of scanning probe microscopy devices is considered with large scale classical molecular dynamics (MD) simulations employing Tersoff's reactive many-body potential for heteroatomic C/Si/Ge system. Lithography plays a key role in semiconductor manufacturing, and it is expected that future molecular and quantum electronic devices will be fabricated with nanolithographic and nanodeposition techniques. Carbon nanotubes, rolled up sheets of graphene made of carbon, are excellent candidates for use in nanolithography because they are extremely strong along axial direction and yet extremely elastic along radial direction. In the simulations, the interaction of a carbon nanotube tip with silicon surfaces is explored in two regimes. In the first scenario, the nanotubes barely touch the surface, while in the second they are pushed into the surface to make "nano holes". The first - gentle scenario mimics the nanotube-surface chemical reaction induced by the vertical mechanical manipulation of the nanotube. The second -digging - scenario intends to study the indentation profiles. The following results are reported in the two cases. In the first regime, depending on the surface impact site, two major outcomes outcomes are the selective removal of either a single surface atom or a surface dimer off the silicon surface. In the second regime, the indentation of a silicon substrate by the nanotube is observed. Upon the nanotube withdrawal, several surface silicon atoms are adsorbed at the tip of the nanotube causing significant rearrangements of atoms comprising the surface layer of the silicon substrate. The results are explained in terms of relative strength of C-C, C-Si, and Si-Si bonds. The proposed method is very robust and does not require applied voltage between the nanotube tips and the surface. The implications of the reported controllable etching and hole-creating for nanolithography on silicon are discussed in detail.
Preliminary results are presented for an ultra compact long-wave infrared slit spectrometer based on the dyson concentric design. The dyson spectrometer has been integrated in a dewar environment with a quantum well infrared photodetecor (QWIP), concave electron beam fabricated diffraction grating and ultra precision slit. The entire system is cooled to cryogenic temperatures to maximize signal to noise ratio performance, hence eliminating thermal signal from transmissive elements and internal stray light. All of this is done while maintaining QWIP thermal control. A general description is given of the spectrometer, alignment technique and predicated performance. The spectrometer has been designed for optimal performance with respect to smile and keystone distortion. A spectral calibration is performed with NIST traceable targets. A 2-point non-uniformity correction is performed with a precision blackbody source to provide radiometric accuracy. Preliminary laboratory results show excellent agreement with modeled noise equivalent delta temperature and detector linearity over a broad temperature range.
In this talk we present a model for analyzing space-based entanglement distribution links. In particular, we analyze deterministic entanglement distribution links relevant to quantum communication applications where all communication nodes must be synchronized with deterministic photon arrival times. The focus is on systems operating within practical limitations set by current technology. The architectures studied in this work are based on all-photonic links with probabilistic (memory-less) entanglement swapping used to signal the success of the entanglement distribution without destroying the entangled state. An end-to-end link model is described which accounts for satellite orbital mechanics as well as the physical effects of entangled photon pair sources, space-to-ground atmospheric channels, two-photon interference, pointing and tracking, and photon counting detectors with and without photon number resolution (this is joint work with Robert Manning, Ian Nemitz, and Bryan Welch).
This paper provides the status of ongoing work at NASA-Goddard Space Flight Center (GSFC) to build a low-cost flexible ground terminal for optical communication. For laser communication to be cost-effective for future missions, a global network of flexible optical terminals must be put in place. There is a need for a single ground terminal design capable of supporting multiple missions ranging from LEO to lunar distances. NASA’s Low-Cost Optical Terminal (LCOT) has a single modular design that can be quickly reconfigured to support different laser communications missions. The LCOT prototype uses a 70cm commercially available telescope designed with optical and quantum communications in mind. This telescope is currently being integrated with a state-of-the-art adaptive optics system, and novel high-power laser amplifier demonstrate its utility as an optical communications receiver by receiving a downlink from the recently launched Laser Communication Relay Demonstration (LCRD). LCOT uses commercially available components wherever possible, and where commercial options are not available, the LCOT team works with vendors to create commercial options. This paper discusses the development progress for the blueprint of NASA’s future global ground terminal network.