TY - JOUR A1 - Kornev, R. A. A1 - Sennikov, P. G. A1 - Gornushkin, Igor B. A1 - Ermakov, A. A. A1 - Shkrunin, V. E. A1 - Polykov, V. S. A1 - Kornev, A. R. A1 - Kornev, K. D. T1 - Laser induced dielectric breakdown as a novel method for the synthesis of molybdenum boride N2 - Laser induced dielectric breakdown (LIDB) on a surface of solid Mo in H2/BF3 atmosphere at 30-760 Torr and in a gaseous mixture MoF6/H2/BF3 + at 760 Torr pressure is tested for synthesis and deposition of superhard molybdenum borides that are needed in many areas of industry and technology. The emission spectra of the plasma and the dynamics of the gas discharge near the substrate are investigated. A comparative analysis of the gas mixture before and after exposure to LIDB plasma is carried out using IR spectroscopy. The conditions for the formation of molybdenum borides are determined. A thermodynamic analysis of the MoF6/H2/BF3 and Mo/H2/BF3 systems is carried out to determine the temperature range for the formation of molybdenum borides and establish the main chemical reactions responsible for their formation. Deposits containing MoB and MoB2 phases are obtained. For the mixture MoF6/H2/BF3, the deposit exhibits an amorphous layered structure, which contains 19.15 wt% F, 30.45% O, and 0.8% Si. For the Mo/H2/BF3 system at the pressures 30 and 160 Torr, nanopowder of molybdenum boride is produced with a characteristic grain size of 100 nm. At pressures above 160 Torr, Mo nanopowder with a grain size <30 nm is obtained. KW - LIDB plasma KW - MoF6 KW - BF3 KW - Hydrogen reduction KW - Molybdenum boride PY - 2022 DO - https://doi.org/10.1007/s11090-021-10224-0 SN - 1572-8986 SP - 1 EP - 18 PB - Springer CY - Dordrecht AN - OPUS4-54290 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Veiko, V. P. A1 - Karlagina, Y. Y. A1 - Samokhvalov, A. A. A1 - Polyakov, D. S. T1 - Equilibrium model of titanium laser induced plasma in air with reverse deposition of titanium oxides N2 - A chemical-hydrodynamic model of laser induced plasma is developed to study a process of deposition of titanium oxides from titanium laser induced plasma to the titanium target surface. The model is relevant to texturing and coating of titanium bone implants that is done by scanning the ablation laser across implant surfaces. Such the procedure improves the biocompatibility and durability of the implants. The model considers plasma chemical reactions, formation of condensed species inside the plasma plume, and deposition and accumulation of these species on the ablation surface. A chemical part of the model is based on minimization of Gibbs free energy of the chemical system; it is used to calculate the chemical composition of the plasma. A hydrodynamic part uses the 2D fluid-dynamic equations that model a 3D axisymmetric plasma plume and assumes the mass and energy exchange between the plasma and the surface. The initial parameters for the model are inferred from experiment. The model shows that condensed titanium oxides, mostly TiO2, form in a peripheral plasma zone and gradually adhere to the surface during the plasma plume evolution. The model predicts the major component and thickness of the deposit and can be applied for the optimization of experiments aimed at surface modification. KW - Fluid dynamic model KW - Plasma chemistry KW - Laser ablation KW - Laser induced plasma deposition KW - Surface coating KW - Titanium dioxide PY - 2022 DO - https://doi.org/10.1016/j.sab.2022.106449 SN - 0038-6987 SN - 0584-8547 VL - 193 SP - 1 EP - 7 PB - Elsevier CY - Amsterdam AN - OPUS4-54866 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Modeling, Diagnostics and Applications of Laser Induced Plasma N2 - Laser-induced plasmas are widely used in many areas of science and technology; examples include spectrochemical analysis, thin film deposition, and material processing. Several topics will be addressed. First, general phenomenology of laser-induced plasmas will be discussed. Then, a chemical model will be presented based on a coupled solution of Navier-Stokes, state, radiative transfer, material transport, and chemical equations. Results of computer simulations for several chemical systems will be shown and compared to experimental observations obtained by optical imaging, spectroscopy, and tomography. The latter diagnostic tools will also be briefly discussed. Finally, a prospective application of laser-induced plasma and plasma modeling will be illustrated on the example of chemical vapor deposition of molybdenum borides and micro processing and coating of titanium dental implants. T2 - University of Saragossa, Department of Chemistry CY - Saragossa, Spain DA - June 30, 2022 KW - Laser ablation KW - Laser induced plasma KW - Plasma modeling KW - Plasma diagnostics KW - Surface coating PY - 2022 AN - OPUS4-55166 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Modeling Equilibrium Chemistry in Laser Induced Plasmas and Plasma Chemical Reactors N2 - A brief introduction will be given on modeling chemical reactions in laser induced plasmas using stoichiometric and non-stoichiometric approaches. Several applications will be considered, which can benefit from such modeling. Those include plasma enhanced chemical vapor deposition (PECVD), surface modification and surface coating, and molecular analysis by LIBS. Each application will be illustrated by simulations of relevant chemical systems. For PECVD, chemical systems are BCl3/H2/Ar, BF3/H2/Ar, BCl3/BF3, Mo/BF3/H2; for surface modification/coating it is Ti/air; for molecular LIBS they are CaCO3/Ar, Ca(OH)2/Ar, and CaCl2/Ar. Advantages and shortcomings of equilibrium chemical hydrodynamic models of laser induced plasmas will be discussed. T2 - 1st NIP Conference National Institute of Physics (IKF), the Albanian Academy of Sciences CY - Online meeting DA - 10.02.2022 KW - Laser ablation KW - Laser induced plasma deposition KW - Surface coating KW - Titanium dioxide KW - Emission spectroscopy KW - Hydrodynamic model KW - Plasma chemistry PY - 2022 AN - OPUS4-54328 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Völker, Tobias A1 - Wilsch, Gerd A1 - Gornushkin, Igor B. A1 - Kratochvilo, L. A1 - Pořízka, P. A1 - Kaiser, J. A1 - Millar, S. A1 - et al., T1 - Interlaboratory comparison for quantitative chlorine analysis in cement pastes with laser induced breakdown spectroscopy N2 - Concrete structures experience severe damage during service, for example due to pitting corrosion of rebars caused by the ingress of chlorine (Cl) into the porous concrete structure. The ingress can be monitored using laser-induced breakdown spectroscopy (LIBS), a recently introduced civil engineering technique used to detect Cl in concrete structures in addition to conventional wet chemistry methods. The key advantages of LIBS are high spatial resolution, which is important when analyzing heterogeneous concrete samples, as well as the almost complete absence of sample preparation. To assess LIBS as a reliable analytical method, its accuracy and robustness must be carefully tested. This paper presents the results of an interlaboratory comparison on the analysis of Cl in cement paste samples conducted by 12 laboratories in 10 countries. Two sets of samples were prepared with Cl content ranging from 0.06 to 1.95 wt% in the training set and 0.23–1.51 wt% in the test set, with additional variations in the type of cement and Cl source (salt type). The overall result shows that LIBS is suitable for the quantification of the studied samples: the average relative error was generally below 15%. The results demonstrate the true status quo of the LIBS method for this type of analysis, given that the laboratories were not instructed on how to perform the analysis or how to process the data. KW - LIBS KW - Interlaboratory comparison KW - Round robin test KW - Cement KW - Chlorine PY - 2023 DO - https://doi.org/10.1016/j.sab.2023.106632 SN - 0584-8547 VL - 202 SP - 1 EP - 8 PB - Elsevier B.V. AN - OPUS4-57102 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Gaft, M. A1 - Nagli, L. A1 - Raichlin, Y. T1 - Laser-induced breakdown spectroscopy (LIBS) of BaF2-Tm3+ N2 - Our recent study was focused on the emission from Laser Induced Plasma (LIP) at the delay times of tenths of microseconds after the laser pulse. At these long delays, the spectrum is dominated by the broadband molecular emission and plasma induced luminescence (PIL) produced by a luminescent matrix; only solitary atomic emission lines can be seen. Barium fluoride BaF2 activated by thulium (Tm) is a famous scintillator that presents the promising object for LIP in terms of both the potential for BaF molecular emission and Tm3+ PIL. The detection of molecular and PIL bands presents a new opportunity for analysis of halogens and rare-earth elements, which are the difficult objects for LIBS. In this paper, we show that the UV, Green, Extreme Red, and Infrared molecular bands from BaF and blue luminescence from Tm3+ are present in the LIP emission spectra while the detection of atomic Emission from F I and Tm I was impossible with the same experimental setup. Thus, the detection of molecular emission and PIL can be more sensitive than the traditional detection of Emission from atoms and ions. KW - BaF KW - Laser-Induced Breakdown Spectroscopy (LIBS) KW - Rare-Earth elements (Tm3+) KW - Plasma-induced luminescence PY - 2020 DO - https://doi.org/10.1016/j.sab.2020.105767 VL - 164 SP - 105767 PB - Elsevier B.V. AN - OPUS4-50360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Huan, Y. A1 - Gojani, Ardian A1 - Gornushkin, Igor B. A1 - Wang, X. A1 - Liu, D. A1 - Rong, M. T1 - Dynamics of laser-induced plasma splitting N2 - The dynamics of laser-induced plasma plume splitting is investigated using spatiotemporal plasma imaging and spectrometry in this paper. Plasma plume splitting into fast and slow components is clearly observed using plasma optical emission as time evolves. The spatial resolved plasma spectra are used to investigate the plasma species distribution, which reveals that the charged copper ions, which radiate at wavelength range 485 nm - 504 nm, are merely present in the fast component. In order to further interpret the mechanism, the pressure-dependent and laser energy-dependent plume splitting are analyzed. Based on the results, the charge separation field is proposed to explain this phenomenon. This work can be of importance for such areas as laser induced breakdown spectroscopy, laser-induced ion source formation, pulse laser deposition, film growth, and nanoscale synthesis. KW - Spectroscopy KW - Laser induced plasma KW - Splitting KW - Imaging PY - 2020 DO - https://doi.org/10.1016/j.optlaseng.2019.105832 SN - 0143-8166 VL - 124 SP - 1 EP - 5 PB - Elsevier CY - Amsterdam AN - OPUS4-48746 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. A1 - Sennikov, P. A1 - Kornev, R. A1 - Ermakov, A. A1 - Shkrunin, V. T1 - Laser Induced Plasma for Chemical Vapor Deposition: Theory and Experiment N2 - A possibility of deposition from laser-induced plasma (LIP) is investigated in search for an economic and simple method to obtain isotopic compounds from enriched gaseous precursors. A breakdown in mixtures of BCl3 and BCl3 with hydrogen, argon, and methane are studied both theoretically and experimentally. Calculations of expanding plasma of different composition are performed with the use of the fluid dynamic code coupled to the equilibrium chemistry solver. Condensed phases of boron, boron carbide, and graphite are predicted showing maximum concentrations in peripheral zones of the plasma. In experiment LIP is induced in mixtures BCl3, Н2+BCl3, H2+Ar+BCl3, H2+BCl3+CH4, BF3, Н2+BF3, H2+Ar+BF3, and H2+Ar+BF3. The gases are analyzed before, during, and after laser irradiation by optical and mass spectroscopic methods. The composition of reaction products is found to be close to that predicted theoretically. The conversion of precursor gases BCl3 and BF3 into gaseous and condensed products is 100% for BCl3 and 80% for BF3. Solid deposits of up to 30 mg are obtained from all the reaction mixtures. FTIR analysis of BCl3+H2+CH4 deposits points to a presence of condensed boron and boron carbide that are also predicted by the model. Both calculations and preliminary experimental results suggest the chemical vapor deposition by LIP is promising for conversion of gaseous enriched precursors into elemental isotopes and their isotopic compounds. T2 - International Online Meeting on Laser Induced Breakdown Spectroscopy (IIOMLIBS) CY - Online meeting DA - 06.07.2020 KW - Chemical vapor deposition KW - Laser induced plasma PY - 2020 AN - OPUS4-50994 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yuan, Huan A1 - Gornushkin, Igor B. A1 - Gojani, Ardian A1 - Wang, X. H. A1 - Rong, Ming Zhe T1 - Laser-induced plasma imaging for low-pressure detection N2 - A novel technique based on laser induced plasma imaging is proposed to measure residual pressure in sealed containers with transparent walls, e.g. high voltage vacuum interrupter in this paper. The images of plasma plumes induced on a copper target at pressure of ambient air between 10−2Pa and 105Pa were acquired at delay times of 200ns, 400ns, 600ns and 800ns. All the plasma images at specific pressures and delay times showed a good repeatability. It was found that ambient gas pressure significantly affects plasma shape, plasma integral intensities and expansion dynamics. A subsection characteristic method was proposed to extract pressure values from plasma images. The method employed three metrics for identification of high, intermediate and low pressures: the distance between the target and plume center, the integral intensity of the plume, and the lateral size of the plume, correspondingly. The accuracy of the method was estimated to be within 15% of nominal values in the entire pressure range between 10−2Pa and 105Pa. The pressure values can be easily extracted from plasma images in the whole pressure range, thus making laser induced plasma imaging a promising technique for gauge-free pressure detection. KW - Laser induced plasma KW - LIBS KW - Plasma modeling KW - Plasma diagnostics PY - 2018 DO - https://doi.org/10.1364/OE.26.015962 SN - 1094-4087 VL - 26 IS - 12 SP - 15962 EP - 15971 PB - Optical Society of America under the terms of the OSA Open Access Publishing Agreement AN - OPUS4-45219 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Völker, Tobias A1 - Kazakov, Alexander Ya. T1 - Extension and investigation by numerical simulations of algorithm for calibration-free laser induced breakdown spectroscopy N2 - Accuracy of calibration-free (CF) methods in laser-induced breakdown spectroscopy (LIBS) depends on experimental conditions and instrumental parameters that must match a CF LIBS model. Here, the numerical study is performed to investigate effects of various factors, such as the optical density, plasma uniformity, line overlap, noise, spectral resolution, electron density and path length on the results of CF-LIBS analyses. The effects are examined one-by-one using synthetic spectra of steel slag samples that fully comply with the mathematical model of the method. Also, the algorithm includes several new features in comparison with previously proposed CF algorithms. In particular, it removes limits on the optical thickness of spectral lines that are used for the construction of the Saha-Boltzmann plot; it retrieves the absorption path length (Plasma diameter) directly from spectral lines; it uses the more realistic Voigt line profile function instead of the Lorentzian function; and it employs the pre-calculated and tabulated thin-to-thick line ratios instead of approximating functions for selfabsorption correction. KW - Laser induced plasma KW - LIBS KW - Plasma modeling KW - Plasma diagnostics KW - Calibration free LIBS PY - 2018 DO - https://doi.org/10.1016/j.sab.2018.06.011 SN - 0584-8547 VL - 147 SP - 149 EP - 163 PB - Elsevier B.V. AN - OPUS4-45340 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Improved algorithm for calibration-free laser induced breakdown spectroscopy N2 - An improved algorithm for calibration-free laser induced breakdown spectroscopy (CF LIBS) is presented which includes several novel features in comparison with previously proposed similar algorithms. In particular, it allows using spectral lines with arbitrary optical thickness for the construction of Saha-Boltzmann plots, retrieves the absorption path length (plasma diameter) directly from a spectrum, replaces the Lorentzian line profile function by the Voigt function, and allows for self-absorption correction using pre-calculated and tabulated data rather than approximating functions. The tabulated data embody the solutions of the radiative transfer equation for numerous combinations of optical thicknesses and line widths. The algorithm is thoroughly verified with synthetic spectra. T2 - 14TH European Workshop on Laser Ablation 2018 (EWLA2018) CY - Pau, France DA - June 26 - 29, 2018 KW - Laser induced plasma KW - LIBS KW - Plasma modeling KW - Plasma diagnostics KW - Calibration free LIBS PY - 2018 AN - OPUS4-45343 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Plasma Fundamentals and Diagnostics N2 - This course will provide an introduction to plasma diagnostic techniques. The major focus of the course will be on the discussions of the practical procedures as well as the underlying physical principles for the measurements of plasma fundamental characteristics (e.g., temperatures, thermodynamic properties, and electron number density). Particular emphasis will be placed on inductively coupled plasma–atomic emission spectrometry, but other analytical plasmas will also be used as examples when appropriate. Selected examples on how one can manipulate the operating conditions of the plasma source, based on the results of plasma diagnostic measurements, to improve its performance used for spectrochemical analysis will also be covered. Topics to be covered include thermal equilibrium, line profiles, temperatures, electron densities, excitation processes, microreactions, pump and probe diagnostics, tomography, temporal and spatial resolution. Basis of plasma computer modeling will be presented. T2 - Winter Plasma Conference CY - Amelia Island, FL, USA DA - 08.01.2018 KW - Plasma diagnostics KW - Plasma physics PY - 2018 AN - OPUS4-44497 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Laser induced plasma: Modeling, diagnostics, and applications N2 - Laser-induced plasmas are widely used in many areas of science and technology; examples include spectrochemical analysis, thin film deposition, material processing, and even jet propulsion. Several topics will be addressed. First, general phenomenology of laser-induced plasmas will be discussed. Then, a chemical model will be presented based on a coupled solution of Navier-Stokes, state, radiative transfer, material transport, and chemical (Guldberg-Waage) equations. Results of computer simulations for several chemical systems will be shown and compared to experimental observations obtained by optical imaging, spectroscopy, and tomography. The latter diagnostic tools will also be briefly discussed. Finally, a prospective application of laser-induced plasma and plasma modeling will be illustrated on the example of calibration-free MC LIBS (Monte Carlo Laser Induced Breakdown Spectroscopy), in which concentrations of elements in materials are found by fitting model-generated and experimental spectra. T2 - Invited talk at Yeshiva University, New York, USA CY - Yeshiva University, New York, USA DA - 4.24.2018 KW - Laser induced plasma KW - LIBS KW - Plasma modeling KW - Plasma diagnostics PY - 2018 AN - OPUS4-45344 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Panne, Ulrich A1 - Gornushkin, Igor B. A1 - Riedel, Jens A1 - Schneider, Rudolf A1 - Emmerling, Franziska T1 - "Keine Dienstmagd" - Analytical Sciences in Action N2 - Analytical Sciences has developed from Ostwald’s “unentbehrlichen Dienstmagd” to a chemical discipline at the core of many of today’s fundamental and applied scientific problems and innovations. An atomic or molecular understanding of basic processes in chemistry, soft matter physics, materials and life science is enabled only through new analytical methods and instrumentation. Similar observations can be found for pressing sociopolitical conflicts of the future: A rational discussion of global climate change or new energy sources is only possible with reliable analytical results. Progress in Analytical Sciences is only possible if the underlying interdisciplinary character is acknowledged and valued. The talk will illustrate the scope of modern Analytical Science through examples from process analysis relevant to modern process intensification and industry 4.0 to bioanalysis and the use of synchrotron radiation to elucidate fundamental reactions materials. T2 - MChG Talk CY - Technische Universität München, Germany DA - 27.11.2018 KW - Analytical Sciences PY - 2018 AN - OPUS4-46940 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. A1 - Shabanov, Sergej V. T1 - Modeling chemical reactions in laser-induced plasmas at local thermodynamic equilibrium N2 - Laser induced plasma (LIP) is a dynamic, short living event which presents significant difficulty for modeling. In this report, a collisional-dominated chemical model developed earlier* is expanded by the inclusion of a new method for calculation of chemical reactions. The model consists of the coupled Navier-Stokes, state, radiative transfer, material transport, and chemical equations. The latter are written in terms of atomic and molecular partition functions rather than reaction rates. Typically, a solution of such the system of chemical equations is difficult for the entire range of plasma temperatures and densities because reaction constants may vary by hundreds orders of magnitude owing to extreme plasma conditions. No numerical solver of non-linear systems of equations handles this situation with ease. We resolve the problem by using a hierarchical approach. First, we rank the reactions according to their ascendancy. Second, we exploit either the contraction or Newton-Raphson algorithms to solve the system of chemical equations. We illustrate the approach by performing a series of calculations for reacting species Si, C, N, Ca, Cl and their molecules in laser induced plasmas. T2 - Winter Plasma Conference CY - Amelia Island, FL, USA DA - 08.01.2018 KW - Plasma physics KW - Plasma diagnostics PY - 2018 AN - OPUS4-44499 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Völker, Tobias A1 - Gornushkin, Igor B. A1 - Kazakov, Alexander Ya. A1 - Wilsch, Gerd T1 - Application of two calibration-free LIBS techniques for synthetic spectra of cement samples N2 - Two calibration-free LIBS techniques are used for the quantitative analysis of synthetic cement samples: the CF-LIBS based on the Boltzmann plot method and the Monte Carlo (MC) LIBS based on the iterative spectrum fitting. In CF-LIBS, the inverse problem is solved, i.e. the elemental concentrations are determined by the reconstruction of plasma parameters from spectra. The MC-LIBS technique solves the direct problem by finding the highest correlation between the model-generated and experimental spectrum. The accuracy of both calibration-free LIBS methods suffers from factors such as inaccurately determined instrumental function, the deviation of experimental plasma from the mathematical model used, not taking into account the collection geometry and from the uncertainty of spectroscopic data. Therefore, the both calibration-free LIBS approaches are applied to synthetic spectra which perfectly suit the mathematical model of the method. This test yields the accuracy of both the approaches for the ideal case. In addition, the accuracy of both methods is investigated for non-isothermal plasma, because real laser-induced plasma often has high gradients in temperature. Both methods assume an isothermal plasma. T2 - Xth international conference on Laser-Induced Breakdown Spectroscopy CY - Atlanta, GA, USA DA - 21.10.2018 KW - Cement KW - MC-LIBS KW - LIBS KW - CF-LIBS PY - 2018 AN - OPUS4-46774 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. T1 - Plasma fundamentals and diagnostics N2 - This course will provide an introduction to plasma diagnostic techniques. The major focus of the course will be on the discussions of the practical procedures as well as the underlying physical principles for the measurements of plasma fundamental characteristics (e.g., temperatures, thermodynamic properties, and electron number density). Particular emphasis will be placed on inductively coupled plasma–atomic emission spectrometry, but other analytical plasmas will also be used as examples when appropriate. Selected examples on how one can manipulate the operating conditions of the plasma source, based on the results of plasma diagnostic measurements, to improve its performance used for spectrochemical analysis will also be covered. Topics to be covered include thermal equilibrium, line profiles, temperatures, electron densities, excitation processes, microreactions, pump and probe diagnostics, tomography, temporal and spatial resolution. Basics of plasma computer modeling will be presented. T2 - 03.-06. September 2018, 13 Symposium "Massenspektrometrische Verfahren der Elementspurenanalyze", BAM, Berlin, Adlershof CY - BAM, Berlin, Adlershof, Germany DA - 03.09.2018 KW - Thermal equilibrium KW - Plasma processes KW - Electron number density KW - Temperatures KW - Emission line profiles KW - Spatial information KW - Plasma modeling PY - 2018 AN - OPUS4-46108 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Gornushkin, Igor B. A1 - Shabanov, Sergej V. T1 - Dynamical chemical model of laser induced plasma N2 - Laser induced plasma (LIP) is a highly dynamic, short living event which presents significant difficulty for both diagnostics and modeling. The former requires precise spatially- and time-resolved measurements on a micron-nanosecond scale while the latter needs numerous descriptive parameters; many of them can only be obtained from experiment. Diagnostics and modeling should always complement each other for obtaining a truthful picture of LIP. In this presentation, a newly developed collisional-dominated model will be presented. The model is based on the coupled Navier-Stokes, state, radiative transfer, material transport, and chemical equations. The model incorporates plasma chemistry through the equilibrium approach that relies on atomic and molecular partition functions. Several chemical systems are modeled including Si-C-Cl-N and B-H-Cl systems. The model is used to study the equilibrium states of the systems as functions of the concentrations of plasma species and plasma temperature. The model also predicts the evolution of number densities of atomic and molecular species in the expanding plasma plume. T2 - 18.09.2018, 9th International Conference on PLASMA PHYSICS AND PLASMA TECHNOLOGY (PPPT‐9) CY - Minsk, Belorussia DA - 17.09.2018 KW - Laser induced plasma KW - LIBS KW - Plasma modeling KW - Plasma diagnostics PY - 2018 AN - OPUS4-46111 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Shabanov, Sergej V. T1 - Chemistry in laser‑induced plasmas at local thermodynamic equilibrium N2 - The equation of state for plasmas containing negative and positive ions of elements and molecules formed by these elements is modeled under the assumption that all ionization processes and chemical reactions are at local thermal equilibrium and the Coulomb interaction in the plasma is described by the Debye–Hückel theory. The hierarchy problem for constants of molecular reactions is resolved by using three different algorithms for high, medium, and low temperatures: the contraction principle, the Newton–Raphson method, and a scaled Newton–Raphson method, respectively. These algorithms are shown to have overlapping temperature ranges in which they are stable. The latter allows one to use the developed method for calculating the equation of state in combination with numerical solvers of Navier–Stokes equations to simulate laser-induced Plasmas initiated in an atmosphere and to study formation of molecules and their ions in such plasmas. The method is applicable to a general chemical network. It is illustrated with examples of Ca–Cl and C–Si–N laser-induced plasmas. KW - Plasma KW - LIBS KW - Plasma modeling PY - 2018 DO - https://doi.org/10.1007/s00339-018-2129-9 SN - 1432-0630 SN - 0947-8396 VL - 124 IS - 10 SP - 716, 1 EP - 21 PB - Springer AN - OPUS4-46112 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gornushkin, Igor B. A1 - Shabanov, Sergej V. A1 - Sennikov, P. G. T1 - Equilibrium Chemistry in BCl3–H2–Ar Plasma N2 - The approach, which was developed earlier for modeling chemical reactions in laser induced plasmas, is applied to radio-frequency discharge plasmas. The model is based on the assumption that all ionization processes and chemical reactions are at local thermodynamic equilibrium. A chemical composition of an argon-hydrogen plasma with an Addition of boron trichloride is studied as a function of plasma temperature and mole ratio H2∕BCl3. It is established that more than twenty simple and composite molecules and ions can be formed in the course of chemical reactions. The results are compared with those obtained earlier by means of another equilibrium model that uses ab-initio quantum chemical computations of thermochemical and kinetic data and a 0D thermochemical quilibrium solver. KW - Modeling chemical reactions KW - Plasma physics KW - Plasma enhanced chemical vapor deposition PY - 2019 DO - https://doi.org/10.1007/s11090-019-09985-6 VL - 39 IS - 4 SP - 1087 EP - 1102 PB - Springer AN - OPUS4-47817 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -