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71.
The main part of the code presented in this work represents an implementation of the split-operator method [J.A. Fleck, J.R. Morris, M.D. Feit, Appl. Phys. 10 (1976) 129-160; R. Heather, Comput. Phys. Comm. 63 (1991) 446] for calculating the time-evolution of Dirac wave functions. It allows to study the dynamics of electronic Dirac wave packets under the influence of any number of laser pulses and its interaction with any number of charged ion potentials. The initial wave function can be either a free Gaussian wave packet or an arbitrary discretized spinor function that is loaded from a file provided by the user. The latter option includes Dirac bound state wave functions. The code itself contains the necessary tools for constructing such wave functions for a single-electron ion. With the help of self-adaptive numerical grids, we are able to study the electron dynamics for various problems in 2+1 dimensions at high spatial and temporal resolutions that are otherwise unachievable.Along with the position and momentum space probability density distributions, various physical observables, such as the expectation values of position and momentum, can be recorded in a time-dependent way. The electromagnetic spectrum that is emitted by the evolving particle can also be calculated with this code. Finally, for planning and comparison purposes, both the time-evolution and the emission spectrum can also be treated in an entirely classical relativistic way.Besides the implementation of the above-mentioned algorithms, the program also contains a large C++ class library to model the geometric algebra representation of spinors that we use for representing the Dirac wave function. This is why the code is called “Dirac++”.
Program summary
Program title: Dirac++ or (abbreviated) d++Catalogue identifier: AEAS_v1_0Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEAS_v1_0.htmlProgram obtainable from: CPC Program Library, Queen's University, Belfast, N. IrelandLicensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.htmlNo. of lines in distributed program, including test data, etc.: 474 937No. of bytes in distributed program, including test data, etc.: 4 128 347Distribution format: tar.gzProgramming language: C++Computer: Any, but SMP systems are preferredOperating system: Linux and MacOS X are actively supported by the current version. Earlier versions were also tested successfully on IRIX and AIXNumber of processors used: Generally unlimited, but best scaling with 2-4 processors for typical problemsRAM: 160 Megabytes minimum for the examples given hereClassification: 2.7External routines: FFTW Library [3,4], Gnu Scientific Library [5], bzip2, bunzip2Nature of problem: The relativistic time evolution of wave functions according to the Dirac equation is a challenging numerical task. Especially for an electron in the presence of high intensity laser beams and/or highly charged ions, this type of problem is of considerable interest to atomic physicists.Solution method: The code employs the split-operator method [1,2], combined with fast Fourier transforms (FFT) for calculating any occurring spatial derivatives, to solve the given problem. An autocorrelation spectral method [6] is provided to generate a bound state for use as the initial wave function of further dynamical studies.Restrictions: The code in its current form is restricted to problems in two spatial dimensions. Otherwise it is only limited by CPU time and memory that one can afford to spend on a particular problem.Unusual features: The code features dynamically adapting position and momentum space grids to keep execution time and memory requirements as small as possible. It employs an object-oriented approach, and it relies on a Clifford algebra class library to represent the mathematical objects of the Dirac formalism which we employ. Besides that it includes a feature (typically called “checkpointing”) which allows the resumption of an interrupted calculation.Additional comments: Along with the program's source code, we provide several sample configuration files, a pre-calculated bound state wave function, and template files for the analysis of the results with both MatLab and Igor Pro.Running time: Running time ranges from a few minutes for simple tests up to several days, even weeks for real-world physical problems that require very large grids or very small time steps.References:- [1]
- J.A. Fleck, J.R. Morris, M.D. Feit, Time-dependent propagation of high energy laser beams through the atmosphere, Appl. Phys. 10 (1976) 129-160.
- [2]
- R. Heather, An asymptotic wavefunction splitting procedure for propagating spatially extended wavefunctions: Application to intense field photodissociation of H+2, Comput. Phys. Comm. 63 (1991) 446.
- [3]
- M. Frigo, S.G. Johnson, FFTW: An adaptive software architecture for the FFT, in: Proceedings of the IEEE International Conference on Acoustics, Speech and Signal Processing, vol. 3, IEEE, 1998, pp. 1381-1384.
- [4]
- M. Frigo, S.G. Johnson, The design and implementation of FFTW3, in: Proceedings of the IEEE, vol. 93, IEEE, 2005, pp. 216-231. URL: http://www.fftw.org/.
- [5]
- M. Galassi, J. Davies, J. Theiler, B. Gough, G. Jungman, M. Booth, F. Rossi, GNU Scientific Library Reference Manual, second ed., Network Theory Limited, 2006. URL: http://www.gnu.org/software/gsl/.
- [6]
- M.D. Feit, J.A. Fleck, A. Steiger, Solution of the Schrödinger equation by a spectral method, J. Comput. Phys. 47 (1982) 412-433.
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73.
Zachary Yoder Daniela Macari Gavriel Kleinwaks Ingemar Schmidt Eric Acome Christoph Keplinger 《Advanced functional materials》2023,33(3):2209080
Soft robotic grippers achieve increased versatility and reduced complexity through intelligence embodied in their flexible and conformal structures. The most widely used soft grippers are pneumatically driven; they are simple and effective but require bulky air compressors that limit their application space and external sensors or computationally expensive vision systems for pick verification. In this study, a multi-material architecture for self-sensing electrohydraulic bending actuators is presented that enables a new class of highly versatile and reconfigurable soft grippers that are electrically driven and feature capacitive pick verification and object size detection. These electrohydraulic grippers are fast (step input results in finger closure in 50 ms), draw low power (6.5 mW per finger to hold grasp), and can pick a wide variety of objects with simple binary electrical control. Integrated high-voltage driving electronics are presented that greatly increase the application space of the grippers and make them readily compatible with commercially available robotic arms. 相似文献
74.
Yixuan Jia Christoph A. Spiegel Alexander Welle Stefan Heißler Elaheh Sedghamiz Modan Liu Wolfgang Wenzel Maximilian Hackner Joachim P. Spatz Manuel Tsotsalas Eva Blasco 《Advanced functional materials》2023,33(39):2207826
Manufacturing programmable materials, whose mechanical properties can be adapted on demand, is highly desired for their application in areas ranging from robotics, to biomedicine, or microfluidics. Herein, the inclusion of dynamic and living bonds, such as alkoxyamines, in a printable formulation suitable for two-photon 3D laser printing is exploited. On one hand, taking advantage of the dynamic covalent character of alkoxyamines, the nitroxide exchange reaction is investigated. As a consequence, a reduction of the Young´s Modulus by 50%, is measured by nanoindentation. On the other hand, due to its “living” characteristic, the chain extension becomes possible via nitroxide mediated polymerization. In particular, living nitroxide mediated polymerization of styrene results not only in a dramatic increase of the volume (≈8 times) of the 3D printed microstructure but also an increase of the Young's Modulus by two orders of magnitude (from 14 MPa to 2.7 GPa), while maintaining the shape including fine structural details. Thus, the approach introduces a new dimension by enabling to create microstructures with dynamically tunable size and mechanical properties. 相似文献
75.
Noei Maziar Luckner Paul Linn Tobias Jungemann Christoph 《Journal of Computational Electronics》2022,21(1):153-168
Journal of Computational Electronics - We discuss the numerical aspects of the Boltzmann transport equation (BE) for electrons in semiconductor devices, which is stabilized by Godunov’s... 相似文献
76.
Felix Gensch Sven Gall Christoph Fahrenson Sören Müller Walter Reimers 《Journal of Materials Science》2016,51(8):3888-3896
Extrusions of hollow profiles with weld seams were conducted using the magnesium alloy ME21 applying various extrusion ratios. Subsequent analysis of the profiles’ microstructure was performed comparing weld free with weld seam containing material using (polarized) light optical microscopy (LOM). Additionally, the local texture and microstructure in the weld-free material as well as in the weld seam region has been examined with a scanning electron microscope coupled with electron backscatter diffraction technique (SEM-EBSD). The weld-free material and the weld seam are characterized by recrystallized microstructures, whereas few residual cast grains were identified. The local texture distinctively changes from the weld-free material to the weld seam. The texture of the weld-free material is comparable with the typical ME21 sheet texture. In the weld seam area, a pole density is found, which is distributed towards the transverse direction (TD) combined with a split and broadening of the pole density in the extrusion direction (ED). This texture influences the mechanical anisotropy due to the dependence of the activation of basal 〈a〉-slip and \( \{ 10\bar{1}2\} \;\langle 10\bar{1}1\rangle \)-extension twinning on the loading direction in favorably oriented grains. 相似文献
77.
78.
Decoupling Charge Transport and Electroluminescence in a High Mobility Polymer Semiconductor 下载免费PDF全文
79.
80.
Alexander Haynack Jithender J. Timothy Thomas Kränkel Christoph Gehlen 《Advanced Engineering Materials》2023,25(19):2300265
Surface deterioration of concrete subjected to freezing and thawing in combination with deicing salts is one of the most important factors determining the durability of concrete infrastructure in cold climates. The freeze–thaw deicing salt (FTDS) resistance of cementitious materials can be determined by the capillary suction of de-icing chemicals and freeze–thaw (CDF) test. Specimens are subjected to repeated freeze–thaw cycles with simultaneous addition of deicing salt and the amount of material scaled off near the surface is determined. For concretes with adequate FTDS resistance, this test method works very well. However, specimens with unknown performance often experience increased edge scaling. This leads to a falsification of results and consequently to an underestimation of the actual freeze–thaw resistance. In materials research, however, concretes with high levels of surface deterioration are studied in order to investigate various factors of influence on the freeze–thaw resistance of concretes in a targeted manner. This article presents a novel methodology that delivers new information regarding surface deterioration of CDF samples using high-resolution 3D scan data. Change of volume is used to support deterioration results of the standard CDF methodology. Increase of surface area is used to estimate change in roughness of samples. 相似文献