DFTpy : An efficient and object-oriented platform for orbital-free DFT simulations
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This paper describes the Dynamic Mode Decomposition (DMD) of the pressures on the scale model of the Space Launch System (SLS) Block 1 cargo vehicle with the Unsteady Pressure-Sensitive Paint (uPSP) measurements, which were collected in the Ascent Transient Aerodynamics Tests with the Unitary Plan Wind Tunnel 11-by-11-foot Transonic Wind Tunnel in September 2019 at NASA Ames Research Center. The work described in this paper is a part of NASA’s development of a new state-of-the-art uPSP capability in production wind tunnels. The conventional DMD algorithm is based on the Singular Value Decomposition (SVD) of the data matrix. For the matrix of the uPSP measurements of the SLS ATAT, the number of rows is equal to the number of nodes in the grid of the scale model, and the number of columns is equal to the number of frames in the videos taken with 4 Phantom high-speed cameras. In this paper, it is verified that, for the time series with zero mean value, the DMD is equivalent to the decomposition with the Discrete Fourier Transform (DFT). Considering the uPSP is mainly used in the assessment of the unsteady, aerodynamic phenomena, the DMD of the uPSP measurements can be implemented in two steps: (1) subtract the mean value from the uPSP measurement on each of the grid nodes; (2) apply the Fast Fourier Transform (FFT) on the resulting zero-mean time series. The DMD of the uPSP measurements with FFT has two advantages: (1) the computational complexity of FFT is O(N*logN), where N is the length of the time series; (2) compared to the SVD-based DMD algorithm, the DMD with FFT can be easily implemented in parallel processing. A sample matrix of uPSP measurements, at the size of 341 grid nodes and 128 frames, is generated. Figures 1 and 2 show the eigenvalues and the ratios of the eigenvectors, respectively, of the sample matrix, without and with the mean value removed on each of the grid nodes, computed with the SVD-based DMD and the FFT. The figures demonstrate the equivalence of the SVD-based DMD and the decomposition with DFT/FFT for the time series with zero mean value. The results of DMD of the uPSP measurements of the SLS ATAT in September 2019 are presented in the paper. The DMD modes at different frequencies are shown, the aerodynamic phenomena (e.g. shockwave and vortex shedding) are demonstrated and the correlation of the DMD modes with the test configuration parameter (e.g., the Mach Number) is discussed. Figure 3 shows a software tool to visualize the DMD modes. The code to implement the algorithm described in this paper was written in C, with libraries of FFTW for FFT and MPI/OpenMP for parallel processing, and executed on the NASA Pleiades supercomputer. Funding for this research was provided by the NASA Aerosciences Evaluation and Test Capabilities Project.
Alternative computational strategies for the Discrete Fourier Transform (DFT) have been developed using analysis of geometric manifolds. This approach provides a general framework for performing DFT calculations, and suggests a more efficient implementation of the DFT for applications using iterative transform methods, particularly phase retrieval. The DFT can thus be implemented using fewer operations when compared to the usual DFT counterpart. The software decreases the run time of the DFT in certain applications such as phase retrieval that iteratively call the DFT function. The algorithm exploits a special computational approach based on analysis of the DFT as a transformation in a complex vector space. As such, this approach has the potential to realize a DFT computation that approaches N operations versus Nlog(N) operations for the equivalent Fast Fourier Transform (FFT) calculation.
A method is proposed to streamline the transform decoding algorithm for Reed-Solomon (RS) codes of length equal to 2 raised to the power 2n. It is shown that a high-radix fast Fourier transform (FFT) type algorithm with generator equal to 3 on GF(F sub n), where F sub n is a Fermat prime, can be used to decode RS codes of this length. For a 256-symbol RS code, a radix 4 and radix 16 FFT over GF(F sub 3) require, respectively, 30 and 70% fewer modulo F sub n multiplications than the usual radix 2 FFT.
An efficient method is presented for the detection of a continuous wave (CW) signal with a frequency drift that is linear in time. Signals of this type occur in transmissions between any two locations that are accelerating relative to one another, e.g., transmissions from the Voyager spacecraft. We assume that both the frequency and the drift are unknown. We also assume that the signal is weak compared to the Gaussian noise. The signal is partitioned into subsequences whose discrete Fourier transforms provide a sequence of instantaneous spectra at equal time intervals. These spectra are then accumulated with a shift that is proportional to time. When the shift is equal to the frequency drift, the signal to noise ratio increases and detection occurs. Here, we show how to compute these accumulations for many shifts in an efficient manner using a variety of Fast Fourier Transformations (FFT). Computing time is proportional to L log L where L is the length of the time series.
Stress wave propagation in a multilayer composite plate due to impact was examined by means of the anisotropic elasticity theory. The plate was modelled as a number of identical anisotropic layers and the approximate plate theory of Mindlin was then applied to each layer to obtain a set of difference-differential equations of motion. Dispersion relations for harmonic waves and correction factors were found. The governing equations were reduced to difference equations via integral transforms. With given impact boundary conditions these equations were solved for an arbitrary number of layers in the plate and the transient propagation of waves was calculated by means of a Fast Fourier Transform algorithm. The multilayered plate problem was extended to examine the effect of damping layers present between two elastic layers. A reduction of the interlaminar normal stress was significant when the thickness of damping layer was increased but the effect was mostly due to the softness of the damping layer. Finally, the problem of a composite plate with a crack on the interlaminar boundary was formulated.
With present concern for ecological sustainability ever increasing, it is desirable to model the composition of Earth s upper atmosphere accurately with regards to certain helpful and harmful chemicals, such as greenhouse gases and ozone. The microwave limb sounder (MLS) is an instrument designed to map the global day-to-day concentrations of key atmospheric constituents continuously. One important component in MLS is the spectrometer, which processes the raw data provided by the receivers into frequency-domain information that cannot only be transmitted more efficiently, but also processed directly once received. The present-generation spectrometer is fully analog. The goal is to include a fully digital spectrometer in the next-generation sensor. In a digital spectrometer, incoming analog data must be converted into a digital format, processed through a Fourier transform, and finally accumulated to reduce the impact of input noise. While the final design will be placed on an application specific integrated circuit (ASIC), the building of these chips is prohibitively expensive. To that end, this design was constructed on a field-programmable gate array (FPGA). A family of state-of-the-art digital Fourier transform spectrometers has been developed, with a combination of high bandwidth and fine resolution. Analog signals consisting of radiation emitted by constituents in planetary atmospheres or galactic sources are downconverted and subsequently digitized by a pair of interleaved analog-to-digital converters (ADCs). This 6-Gsps (gigasample per second) digital representation of the analog signal is then processed through an FPGA-based streaming fast Fourier transform (FFT). Digital spectrometers have many advantages over previously used analog spectrometers, especially in terms of accuracy and resolution, both of which are particularly important for the type of scientific questions to be addressed with next-generation radiometers.
Existing microwave radiometer technology now provides a suitable method for remote determination of the ocean surface's absolute brightness temperature. To extract the brightness temperature of the water from the antenna temperature, an unstable Fredholm integral equation of the first kind is solved. Fourier transform techniques are used to invert the integral after it is placed into a cross correlation form. Application and verification of the methods to a two-dimensional modeling of a laboratory wave tank system are included. The instability of the ill-posed Fredholm equation is examined and a restoration procedure is included which smooths the resulting oscillations. With the recent availability and advances of fast Fourier transform (FFT) techniques, the method presented becomes very attractive in the evaluation of large quantities of data.
Stress-wave propagation in a composite plate due to an impact has been examined using anisotropic elasticity theory. The plate is modelled as a number of identical anisotropic layers whose elastic moduli are given. Mindlin's (1959) approximate theory of plates is then applied to each layer to obtain a set of difference-differential equations of motion by using the interlaminar stresses and displacements as explicit variables. Dispersion relationships for harmonic waves are found when traction-free boundary conditions are applied to both surfaces of the plate. The difference-differential equations are reduced to difference equations via integral transforms. With given impact boundary conditions these equations are solved for an arbitrary number of layers in the plate, and the transient propagation of a stress wave is calculated by means of a fast Fourier transform algorithm.
A state-of-the-art digital Fourier Transform spectrometer has been developed, with a combination of high bandwidth and fine resolution unavailable elsewhere. Analog signals consisting of radiation emitted by constituents in planetary atmospheres or galactic sources are downconverted and subsequently digitized by a pair of interleaved Analog-to-Digital Converters (ADC). This 6 Gsps (giga sample per second) digital representation of the analog signal is then processed through an FPGA-based streaming Fast Fourier Transform (FFT), the key development described below. Digital spectrometers have many advantages over previously used analog spectrometers, especially in terms of accuracy and resolution, both of which are particularly important for the type of scientific questions to be addressed with next-generation radiometers. The implementation, results and underlying math for this spectrometer, as well as potential for future extension to even higher bandwidth, resolution and channel orthogonality, needed to support proposed future advanced atmospheric science and radioastronomy, are discussed.
A family of state-of-the-art digital Fourier transform spectrometers has been developed, with a combination of high bandwidth and fine resolution unavailable elsewhere. Analog signals consisting of radiation emitted by constituents in planetary atmospheres or galactic sources are downconverted and subsequently digitized by a pair of interleaved Analog-to-Digital Converters, (ADC). This 6 Gsps (giga-sample per second) digital representation of the analog signal is then processed through an FPGA-based streaming Fast Fourier Transform (FFT), the key development described below. Digital spectrometers have many advantages over previously used analog spectrometers, especially in terms of accuracy and resolution, both of which are particularly important for the type of scientific questions to be addressed with next-generation radiometers. the implementation, results and underlying math for this spectrometer, as well as, potential for future extension to even higher bandwidth, resolution and channel orthogonality, needed to support proposed future advanced atmospheric science and radioastronomy, are discussed.
A novel Fourier technique for digital signal processing is developed. This approach to Fourier analysis is based on the number-theoretic method of the Moebius inversion of series. The Fourier transform method developed is shown also to yield the convolution of two signals. A computer simulation shows that this method for finding Fourier coefficients is quite suitable for digital signal processing. It competes with the classical FFT (fast Fourier transform) approach in terms of accuracy, complexity, and speed.
Computer program uses fast-polynomial-transformation (FPT) algorithm applicable to two-dimensional mathematical convolutions. Two-dimensional cyclic convolutions converted to one-dimensional convolutions in polynomial rings. Program decomposes cyclic polynomials into polynomial convolutions of same length. Only FPT's and fast Fourier transforms of same length required. Modular approach saves computional resources. Program written in C.
Silicon polymorphs with exotic electronic and optical properties have recently attracted significant attention due to their wide range of useful band gap characteristics. They are typically formed by static high-pressure techniques, which limits the crystal structures that can be made. This constitutes a major obstacle to study these polymorphs and their incorporation into existing technology. Approaches have attempted to address this shortcoming through using dynamic conditions and chemical precursor materials. Here, we report on an approach to create unusual crystal structures deep in the bulk of a silicon crystal by irradiating it with a laser pulse at ultrarelativistic intensity of up to 7.5 × 10 19 W/ c m 2 . Laser-generated electrons with MeV energy swiftly penetrate the target with speed close to the speed of light and deposit their energy into a large volume across the whole thickness of the sample. The relativistic electron current creates, via branching propagation and ionization, high-energy-density conditions for thermodynamically nonequilibrium phase transformation paths into new crystal polymorphs. X-ray microdiffraction and synchrotron x-ray diffraction analyses indicate, along with conventional dc-Si, the presence of exotic silicon structures in the bulk of the laser intact target volume. These structures are identified as body-centered bc8-Si, rhombohedral r8-Si, hexagonal-diamond hd-Si, and the tetragonal Si-VIII, all phases of Si that have previously been made through static techniques. Additionally, simple-tetragonal st12-Si and body-centered tetragonal bt8-Si were observed along with signatures of not yet identified diffraction spots. Both st12-Si and bt8-Si have only been observed in ultrafast laser microexplosion conditions at much lower laser intensity ∼ 10 14 W/ c m 2 and within a micron-thin surface layer. The findings here are supported by direct observation of nanoparticles with high-resolution transmission electron microscopy and corresponding fast Fourier transform analysis of their interatomic distances. The presented analyses of absorbed laser energy, generation of the MeV electron current, and deposition of energy across the whole target thickness provide a solid basis for drawing the conclusion that the observed silicon polymorphs were produced because of laser-generated high-energy electrons fast-penetrating deeply into the bulk of silicon. In contrast to solid-solid transformations, the plasma-solid transitions offer a paradigm for the creation of exotic, high-energy density materials inside the bulk of the sample by using laser pulses at relativistic intensities. Published by the American Physical Society 2024
Nonlinear optical microscopy is used to monitor changes in the collagen structure of patellar ligament after IR laser heating up to a temperature of 60 °C. Pre-denaturation modification of the tissue matrix exhibits specific properties and consists in splitting of initially parallel fibre bundles into array of divergent fibres. Image processing employing Fast Fourier transform analysis is used for characterising images of the fibre structure and determining the collagen orientation index. An increase in manifestation of laser-induced disordering with an increase in IR laser radiation power from 0.3 to 2 W is accompanied by a decrease in the collagen orientation index. The specific disorganisation of the collagen tissue structure during laser heating is supposed to be due to fast speed and local action of the laser heating, which leads to mechanical distortions of the structural elements of tissue matrix. (paper)
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.
Here in situ electron microscopy imaging and spectroscopy enabled us to study the evolution of quasi-1D NbS 3 -IV nanoribbons with respect to morphology and chemical structure at temperatures between room temperature and 1000 °C. Scanning transmission electron microscopy (STEM) experiments included imaging in the secondary electron, (transmitted) bright field, and high-angle annular dark-field modes while operating in the low kV regime. The results showed that NbS 3 -IV samples transform dramatically from smooth nanoribbons into highly textured configurations featuring polyhedral divots and steps. Similar in situ heating experiments conducted with aberration-corrected STEM revealed that bilayers of NbS 3 -IV chains convert topotactically into aligned 2H-NbS 2 sheets upon loss of sulfur. Atomic resolution imaging, fast Fourier transform analysis, and electron energy loss spectroscopy confirmed these chemical changes, from which we propose an atomistic mechanism for the NbS 3 -IV → 2H-NbS 2 conversion.
An operational N-ray/X-ray computer analysis system for nondestructive testing problems was realized by developing: (1) more efficient data transfer routines for use in existing image processing systems; (2) the capability to store and analyze multiple N-ray/X-ray images; (3) an efficient 2-D Fast Fourier Transform; and (4) transfer functions compensation capability to correct for distortions and nonlinearities of N-rays/X-rays. Applications of the technique are summarized for the following: thermal protection system tile with hydraulic fluid; thermal protection system tile with corrosion; thermal protection system tile debonding; stainless steel tubing corrosion; defective electrical devices; fast film restoration and deblur; corrosion tracking over time; reduction of source vignetting, and identification of materials (0 rings, Teflon parts, soft goods) via table look up.