Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

Liu, Ji -Cai; Berrah, Nora; Cederbaum, Lorenz S.; Cryan, James P.; Glownia, James M.; Schafer, Kenneth J.; Buth, Christian

doi:10.1088/0953-4075/49/7/075602

Rate equations for nitrogen molecules in ultrashort and intense x-ray pulses

Journal Article · Wed Mar 16 00:00:00 EDT 2016 · Journal of Physics. B, Atomic, Molecular and Optical Physics

DOI:https://doi.org/10.1088/0953-4075/49/7/075602· OSTI ID:1254737

Liu, Ji -Cai ^[1]; Berrah, Nora ^[2]; Cederbaum, Lorenz S. ^[3]; Cryan, James P. ^[4]; Glownia, James M. ^[4]; Schafer, Kenneth J. ^[5]; Buth, Christian ^[6]

North China Electric Power Univ., Beijing (China); Max-Planck-Institut fur Kernphysik, Heidelberg (Germany)
Univ. of Connecticut, Storrs, CT (United States)
Ruprecht-Karls-Univ. Heidelberg, Heidelberg (Germany)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Stanford, CA (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States); Louisiana State Univ., Baton Rouge, LA (United States)
Max-Planck-Institut fur Kernphysik, Heidelberg (Germany); Ruprecht-Karls-Univ. Heidelberg, Heidelberg (Germany); SLAC National Accelerator Lab., Menlo Park, CA (United States); Louisiana State Univ., Baton Rouge, LA (United States)

Here, we study theoretically the quantum dynamics of nitrogen molecules (N2) exposed to intense and ultrafast x-rays at a wavelength of $$1.1\;{\rm{nm}}$$ ($$1100\;{\rm{eV}}$$ photon energy) from the Linac Coherent Light Source (LCLS) free electron laser. Molecular rate equations are derived to describe the intertwined photoionization, decay, and dissociation processes occurring for N2. This model complements our earlier phenomenological approaches, the single-atom, symmetric-sharing, and fragmentation-matrix models of 2012 (J. Chem. Phys. 136 214310). Our rate-equations are used to obtain the effective pulse energy at the sample and the time scale for the dissociation of the metastable dication $${{\rm{N}}}_{2}^{2+}$$. This leads to a very good agreement between the theoretically and experimentally determined ion yields and, consequently, the average charge states. The effective pulse energy is found to decrease with shortening pulse duration. This variation together with a change in the molecular fragmentation pattern and frustrated absorption—an effect that reduces absorption of x-rays due to (double) core hole formation—are the causes for the drop of the average charge state with shortening LCLS pulse duration discovered previously.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Lab., Menlo Park, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1254737

Alternate ID(s):: OSTI ID: 1335103
OSTI ID: 22880553

Report Number(s):: SLAC-PUB--16535; arXiv:1508.05223

Journal Information:: Journal of Physics. B, Atomic, Molecular and Optical Physics, Journal Name: Journal of Physics. B, Atomic, Molecular and Optical Physics Journal Issue: 7 Vol. 49; ISSN 0953-4075

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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