TY - JOUR A1 - Schick, Daniel A1 - Bojahr, Andre A1 - Herzog, Marc A1 - Shayduk, Roman A1 - von Korff Schmising, Clemens A1 - Bargheer, Matias T1 - Udkm1Dsim-A simulation toolkit for 1D ultrafast dynamics in condensed matter JF - Computer physics communications : an international journal devoted to computational physics and computer programs in physics N2 - The UDKM1DSIM toolbox is a collection of MATLAB (MathWorks Inc.) classes and routines to simulate the structural dynamics and the according X-ray diffraction response in one-dimensional crystalline sample structures upon an arbitrary time-dependent external stimulus, e.g. an ultrashort laser pulse. The toolbox provides the capabilities to define arbitrary layered structures on the atomic level including a rich database of corresponding element-specific physical properties. The excitation of ultrafast dynamics is represented by an N-temperature model which is commonly applied for ultrafast optical excitations. Structural dynamics due to thermal stress are calculated by a linear-chain model of masses and springs. The resulting X-ray diffraction response is computed by dynamical X-ray theory. The UDKM1DSIM toolbox is highly modular and allows for introducing user-defined results at any step in the simulation procedure. Program summary Program title: udkm1Dsim Catalogue identifier: AERH_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AERH_v1_0.html Licensing provisions: BSD No. of lines in distributed program, including test data, etc.: 130221 No. of bytes in distributed program, including test data, etc.: 2746036 Distribution format: tar.gz Programming language: Matlab (MathWorks Inc.). Computer: PC/Workstation. Operating system: Running Matlab installation required (tested on MS Win XP -7, Ubuntu Linux 11.04-13.04). Has the code been vectorized or parallelized?: Parallelization for dynamical XRD computations. Number of processors used: 1-12 for Matlab Parallel Computing Toolbox; 1 - infinity for Matlab Distributed Computing Toolbox External routines: Optional: Matlab Parallel Computing Toolbox, Matlab Distributed Computing Toolbox Required (included in the package): mtimesx Fast Matrix Multiply for Matlab by James Tursa, xml io tools by Jaroslaw Tuszynski, textprogressbar by Paul Proteus Nature of problem: Simulate the lattice dynamics of 1D crystalline sample structures due to an ultrafast excitation including thermal transport and compute the corresponding transient X-ray diffraction pattern. Solution method: Restrictions: The program is restricted to 1D sample structures and is further limited to longitudinal acoustic phonon modes and symmetrical X-ray diffraction geometries. Unusual features: The program is highly modular and allows the inclusion of user-defined inputs at any time of the simulation procedure. Running time: The running time is highly dependent on the number of unit cells in the sample structure and other simulation parameters such as time span or angular grid for X-ray diffraction computations. However, the example files are computed in approx. 1-5 min each on a 8 Core Processor with 16 GB RAM available. KW - Ultrafast dynamics KW - Heat diffusion KW - N-temperature model KW - Coherent phonons KW - Incoherent phonons KW - Thermoelasticity KW - Dynamical X-ray theory Y1 - 2014 U6 - https://doi.org/10.1016/j.cpc.2013.10.009 SN - 0010-4655 SN - 1879-2944 VL - 185 IS - 2 SP - 651 EP - 660 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Gaal, Peter A1 - Schick, Daniel A1 - Herzog, Marc A1 - Bojahr, Andre A1 - Shayduk, Roman A1 - Goldshteyn, Jevgeni A1 - Leitenberger, Wolfram A1 - Vrejoiu, Ionela A1 - Khakhulin, Dmitry A1 - Wulff, Michael A1 - Bargheer, Matias T1 - Ultrafast switching of hard X-rays JF - Journal of synchrotron radiation N2 - A new concept for shortening hard X-ray pulses emitted from a third-generation synchrotron source down to few picoseconds is presented. The device, called the PicoSwitch, exploits the dynamics of coherent acoustic phonons in a photo-excited thin film. A characterization of the structure demonstrates switching times of <= 5 ps and a peak reflectivity of similar to 10(-3). The device is tested in a real synchrotron-based pump-probe experiment and reveals features of coherent phonon propagation in a second thin film sample, thus demonstrating the potential to significantly improve the temporal resolution at existing synchrotron facilities. KW - ultrafast X-ray diffraction KW - thin film KW - coherent phonons KW - X-ray switching KW - pulse shortening KW - optical pump X-ray probe KW - time-resolved Y1 - 2014 U6 - https://doi.org/10.1107/S1600577513031949 SN - 0909-0495 SN - 1600-5775 VL - 21 SP - 380 EP - 385 PB - Wiley-Blackwell CY - Hoboken ER - TY - JOUR A1 - Schick, Daniel A1 - Herzog, Marc A1 - Wen, Haidan A1 - Chen, Pice A1 - Adamo, Carolina A1 - Gaal, Peter A1 - Schlom, Darrell G. A1 - Evans, Paul G. A1 - Li, Yuelin A1 - Bargheer, Matias T1 - Localized excited charge carriers generate ultrafast inhomogeneous strain in the multiferroic BiFeO3 JF - Physical review letters N2 - We apply ultrafast x-ray diffraction with femtosecond temporal resolution to monitor the lattice dynamics in a thin film of multiferroic BiFeO3 after above-band-gap photoexcitation. The sound-velocity limited evolution of the observed lattice strains indicates a quasi-instantaneous photoinduced stress which decays on a nanosecond time scale. This stress exhibits an inhomogeneous spatial profile evidenced by the broadening of the Bragg peak. These new data require substantial modification of existing models of photogenerated stresses in BiFeO3: the relevant excited charge carriers must remain localized to be consistent with the data. Y1 - 2014 U6 - https://doi.org/10.1103/PhysRevLett.112.097602 SN - 0031-9007 SN - 1079-7114 VL - 112 IS - 9 PB - American Physical Society CY - College Park ER - TY - JOUR A1 - Schick, Daniel A1 - Herzog, Marc A1 - Bojahr, Andre A1 - Leitenberger, Wolfram A1 - Hertwig, Andreas A1 - Shayduk, Roman A1 - Bargheer, Matias T1 - Ultrafast lattice response of photoexcited thin films studied by X-ray diffraction JF - Structural dynamics N2 - Using ultrafast X-ray diffraction, we study the coherent picosecond lattice dynamics of photoexcited thin films in the two limiting cases, where the photoinduced stress profile decays on a length scale larger and smaller than the film thickness. We solve a unifying analytical model of the strain propagation for acoustic impedance-matched opaque films on a semi-infinite transparent substrate, showing that the lattice dynamics essentially depend on two parameters: One for the spatial profile and one for the amplitude of the strain. We illustrate the results by comparison with high-quality ultrafast X-ray diffraction data of SrRuO3 films on SrTiO3 substrates. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License. Y1 - 2014 U6 - https://doi.org/10.1063/1.4901228 SN - 2329-7778 VL - 1 IS - 6 PB - American Institute of Physics CY - Melville ER -