Bayesian Error Estimation in Density Functional Theory

We present a practical scheme for performing error estimates for Density Functional Theory calculations. The approach which is based on ideas from Bayesian statistics involves creating an ensemble of exchange-correlation functionals by comparing with an experimental database of binding energies for molecules and solids. Fluctuations within the ensemble can then be used to estimate errors relative to experiment on calculated quantities like binding energies, bond lengths, and vibrational frequencies. It is demonstrated that the error bars on energy differences may vary by orders of magnitude for different systems in good agreement with existing experience.Comment: 5 pages, 3 figure

Particle Acceleration, Magnetic Field Generation, and Emission in Relativistic Shocks

Shock acceleration is an ubiquitous phenomenon in astrophysical plasmas. Plasma waves and their associated instabilities (e.g., Buneman, Weibel and other two-stream instabilities) created in collisionless shocks are responsible for particle (electron, positron, and ion) acceleration. Using a 3-D relativistic electromagnetic particle (REMP) code, we have investigated particle acceleration associated with a relativistic jet front propagating into an ambient plasma. We find small differences in the results for no ambient and modest ambient magnetic fields. Simulations show that the Weibel instability created in the collisionless shock front accelerates jet and ambient particles both perpendicular and parallel to the jet propagation direction. The small scale magnetic field structure generated by the Weibel instability is appropriate to the generation of ``jitter'' radiation from deflected electrons (positrons) as opposed to synchrotron radiation. The jitter radiation resulting from small scale magnetic field structures may be important for understanding the complex time structure and spectral evolution observed in gamma-ray bursts or other astrophysical sources containing relativistic jets and relativistic collisionless shocks.Comment: 6 pages, 1 figure, revised and accepted for Advances in Space Research (35th COSPAR Scientific Assembly, Paris, 18-25 July 2004

Radiation from relativistic jets

Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations of relativistic electron-ion (electron-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In the presence of relativistic jets, instabilities such as the Buneman instability, other two-streaming instability, and the Weibel (filamentation) instability create collisionless shocks, which are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The ``jitter'' radiation from deflected electrons in small-scale magnetic fields has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation, a case of diffusive synchrotron radiation, may be important to understand the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.Comment: 8 pages,3 figures, accepted for the Proceedings of Science of the Workshop on Blazar Variability across the Electromagnetic Spectrum, April 22 to 25, 200

Radiation from relativistic jets in turbulent magnetic fields

Using our new 3-D relativistic electromagnetic particle (REMP) code parallelized with MPI, we have investigated long-term particle acceleration associated with an relativistic electron-positron jet propagating in an unmagnetized ambient electron-positron plasma. The simulations have been performed using a much longer simulation system than our previous simulations in order to investigate the full nonlinear stage of the Weibel instability and its particle acceleration mechanism. Cold jet electrons are thermalized and ambient electrons are accelerated in the resulting shocks. The acceleration of ambient electrons leads to a maximum ambient electron density three times larger than the original value. Behind the bow shock in the jet shock strong electromagnetic fields are generated. These fields may lead to the afterglow emission. We have calculated the time evolution of the spectrum from two electrons propagating in a uniform parallel magnetic field to verify the technique.Comment: 3 pages, 2 figures, submitted for the Proceedings of The Sixth Huntsville Gamma-Ray Burst Symposium 2008, Huntsville, AL, October 20-23, 200

Magnetic field generation in a jet-sheath plasma via the kinetic Kelvin-Helmholtz instability

We have investigated generation of magnetic fields associated with velocity shear between an unmagnetized relativistic jet and an unmagnetized sheath plasma. We have examined the strong magnetic fields generated by kinetic shear (Kelvin-Helmholtz) instabilities. Compared to the previous studies using counter-streaming performed by Alves et al. (2012), the structure of KKHI of our jet-sheath configuration is slightly different even for the global evolution of the strong transverse magnetic field. In our simulations the major components of growing modes are the electric field $E_{\rm z}$ and the magnetic field $B_{\rm y}$. After the $B_{\rm y}$ component is excited, an induced electric field $E_{\rm x}$ becomes significant. However, other field components remain small. We find that the structure and growth rate of KKHI with mass ratios $m_{\rm i}/m_{\rm e} = 1836$ and $m_{\rm i}/m_{\rm e} = 20$ are similar. In our simulations saturation in the nonlinear stage is not as clear as in counter-streaming cases. The growth rate for a mildly-relativistic jet case ($\gamma_{\rm j} = 1.5$) is larger than for a relativistic jet case ($\gamma_{\rm j} = 15$).Comment: 6 pages, 6 figures, presented at Dynamical processes in space plasmas II, Isradinamic 2012, in press, ANGEO. arXiv admin note: text overlap with arXiv:1303.256

Radiation from accelerated particles in relativistic jets with shocks, shear-flow, and reconnection

We have investigated particle acceleration and shock structure associated with an unmagnetized relativistic jet propagating into an unmagnetized plasma. Strong magnetic fields generated in the trailing jet shock lead to transverse deflection and acceleration of the electrons. We have self-consistently calculated the radiation from the electrons accelerated in the turbulent magnetic fields. We find that the synthetic spectra depend on the bulk Lorentz factor of the jet, the jet temperature, and the strength of the magnetic fields generated in the shock. We have also begun study of electron acceleration in the strong magnetic fields generated by kinetic shear (Kelvin-Helmholtz) instabilities. Our calculated spectra should lead to a better understanding of the complex time evolution and/or spectral structure from gamma-ray bursts, relativistic jets, and supernova remnants.Comment: 6 pages, 4 figures, 2012 Fermi Symposium proceedings - eConf C12102

New Relativistic Particle-In-Cell Simulation Studies of Prompt and Early Afterglows from GRBs

Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and microquasars commonly exhibit power-law emission spectra. Recent PIC simulations of relativistic electron-ion (or electron-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In collisionless, relativistic shocks, particle (electron, positron, and ion) acceleration is due to plasma waves and their associated instabilities (e.g., the Weibel (filamentation) instability) created in the shock region. The simulations show that the Weibel instability is responsible for generating and amplifying highly non-uniform, small-scale magnetic fields. These fields contribute to the electron's transverse deflection behind the jet head. The resulting "jitter" radiation from deflected electrons has different properties compared to synchrotron radiation, which assumes a uniform magnetic field. Jitter radiation may be important for understanding the complex time evolution and/or spectra in gamma-ray bursts, relativistic jets in general, and supernova remnants.Comment: : 4 pages, 1 figure and 1 table, typos are corrected, submitted for the Proceedings of The 4th Heidelberg International Symposium on High Energy Gamma-Ray Astronomy, July 7-11, 2008, in Heidelberg, German

Evolution of Global Relativistic Jets: Collimations and Expansion with kKHI and the Weibel Instability

One of the key open questions in the study of relativistic jets is their interaction with the environment. Here, we study the initial evolution of both electron-proton and electron-positron relativistic jets, focusing on their lateral interaction with the ambient plasma. We trace the generation and evolution of the toroidal magnetic field generated by both kinetic Kelvin-Helmholtz (kKH) and Mushroom instabilities (MI). This magnetic field collimates the jet. We show that in electron-proton jet, electrons are perpendicularly accelerated with jet collimation. The magnetic polarity switches from the clockwise to anti-clockwise in the middle of jet, as the instabilities weaken. For the electron-positron jet, we find strong mixture of electron-positron with the ambient plasma, that results in the creation of a bow shock. Merger of magnetic field current filaments generate density bumps which initiate a forward shock. The strong mixing between jet and ambient particles prevents full development of the jet on the studied scale. Our results therefore provide a direct evidence for both jet collimation and particle acceleration in the created bow shock. Differences in the magnetic field structures generated by electron-proton and electron-positron jets may contribute to observable differences in the polarized properties of emission by electrons.Comment: 25 pages, 12 figures, ApJ, accepte