X-ray free-electron laser heating of water at picosecond time scale

Zarkadoula, Eva; Shinohara, Yuya; Egami, Takeshi

doi:10.1103/PhysRevResearch.4.013022

Title: X-ray free-electron laser heating of water at picosecond time scale

Abstract

Split-pulse x-ray photon correlation spectroscopy using x-ray free-electron laser is a promising tool to probe atomic dynamics in liquid and soft-matter in picosecond time scale, which has been accessible only by spectroscopy. However, sample heating by x-ray beam is a major obstacle for this technique. Using molecular dynamics and the two-temperature model we examine the atomic level response of water to x-ray laser pulse at picosecond time scale and compare with observations from recent x-ray free-electron laser experiments. We investigate the effects of the heating due to x-ray laser pulses of different energies and the effects of the heat dissipation on the structure and dynamics of water through the atomic density correlation and the dynamic structure factor. Our results indicate, in agreement with experiment that in addition to the beam energy the time delay between the two pulses is a critical factor for obtaining reliable information on the atomic level dynamics of water.

Authors:

;

Publication Date:: Mon Jan 10 00:00:00 EST 2022

Research Org.:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1839108

Alternate Identifier(s):: OSTI ID: 1840159

Grant/Contract Number:: 2018B8041; 2019A8043; 2019B8011; AC05-00OR22725; AC02-05CH11231

Resource Type:: Published Article

Journal Name:: Physical Review Research

Additional Journal Information:: Journal Name: Physical Review Research Journal Volume: 4 Journal Issue: 1; Journal ID: ISSN 2643-1564

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; Liquids; Water; Laser-beam impact phenomena; Molecular dynamics; X-ray scattering

Citation Formats


                    Zarkadoula, Eva, Shinohara, Yuya, and Egami, Takeshi. X-ray free-electron laser heating of water at picosecond time scale.  United States: N. p., 2022. 
Web.  doi:10.1103/PhysRevResearch.4.013022.

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                    Zarkadoula, Eva, Shinohara, Yuya, & Egami, Takeshi. X-ray free-electron laser heating of water at picosecond time scale.  United States.  https://doi.org/10.1103/PhysRevResearch.4.013022

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                    Zarkadoula, Eva, Shinohara, Yuya, and Egami, Takeshi. Mon .  
"X-ray free-electron laser heating of water at picosecond time scale".  United States.  https://doi.org/10.1103/PhysRevResearch.4.013022.

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@article{osti_1839108,

  title        = {X-ray free-electron laser heating of water at picosecond time scale},

  author       = {Zarkadoula, Eva and Shinohara, Yuya and Egami, Takeshi},

  abstractNote = {Split-pulse x-ray photon correlation spectroscopy using x-ray free-electron laser is a promising tool to probe atomic dynamics in liquid and soft-matter in picosecond time scale, which has been accessible only by spectroscopy. However, sample heating by x-ray beam is a major obstacle for this technique. Using molecular dynamics and the two-temperature model we examine the atomic level response of water to x-ray laser pulse at picosecond time scale and compare with observations from recent x-ray free-electron laser experiments. We investigate the effects of the heating due to x-ray laser pulses of different energies and the effects of the heat dissipation on the structure and dynamics of water through the atomic density correlation and the dynamic structure factor. Our results indicate, in agreement with experiment that in addition to the beam energy the time delay between the two pulses is a critical factor for obtaining reliable information on the atomic level dynamics of water.},

  doi          = {10.1103/PhysRevResearch.4.013022},

  journal      = {Physical Review Research},

  number       = 1,

  volume       = 4,

  place        = {United States},

  year         = {Mon Jan 10 00:00:00 EST 2022},

  month        = {Mon Jan 10 00:00:00 EST 2022}

}

Copy to clipboard

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Title: X-ray free-electron laser heating of water at picosecond time scale

Abstract

Citation Formats

Water — an enduring mystery journal, March 2008

A high-quality x-ray scattering experiment on liquid water at ambient conditions journal, November 2000

X-ray free-electron lasers journal, November 2010

The structure of water around the compressibility minimum journal, December 2014

Electron Inelastic Mean Free Paths for LiF, CaF 2 , Al 2 O 3 , and Liquid Water from 433 keV down to the Energy Gap journal, February 2020

Atomic-Scale Visualization of Ultrafast Bond Breaking in X-Ray-Excited Diamond journal, March 2021

LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments journal, July 2018

High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs journal, July 2008

The inhomogeneous structure of water at ambient conditions journal, August 2009

Two-colour hard X-ray free-electron laser with wide tunability journal, December 2013

Realizing split-pulse x-ray photon correlation spectroscopy to measure ultrafast dynamics in complex matter journal, April 2020

Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources journal, April 2018

Inherent structure in water journal, July 1983

The hydrogen-bond network of water supports propagating optical phonon-like modes journal, January 2016

Liquid Water: Molecular Correlation Functions from X‐Ray Diffraction journal, September 1971

XPCS at the European X-ray free electron laser facility journal, September 2007

The high-frequency dynamics of liquid water journal, January 1999

Generation of narrow-band X-ray free-electron laser via reflection self-seeding journal, March 2019

Correlated atomic dynamics in liquid seen in real space and time journal, November 2020

Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys journal, April 2017

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

Single-shot beam-position monitor for x-ray free electron laser journal, February 2011

Transient thermal processes in heavy ion irradiation of crystalline inorganic insulators journal, May 2000

Electronic effects in high-energy radiation damage in tungsten journal, March 2015

Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics journal, May 2018

The structural origin of anomalous properties of liquid water journal, December 2015

Atomistic Modeling of Warm Dense Matter in the Two-Temperature State journal, January 2013

Interaction of antigenic peptides with MHC and TCR molecules journal, September 1995

A semiclassical two-temperature model for ultrafast laser heating journal, January 2006

Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water journal, September 2003

Curie-Weiss behavior of liquid structure and ideal glass state journal, December 2019

X-ray free electron laser heating of water and gold at high static pressure journal, June 2021

Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations journal, December 2006

Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q -range journal, February 2013

Molecular scale precursor of the liquid–liquid phase transition of water journal, February 1998

Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K journal, November 2001

Viscoelastic behavior of water in the terahertz-frequency range: An inelastic x-ray scattering study journal, November 1999

Measuring temporal speckle correlations at ultrafast x-ray sources journal, December 2008

High-intensity double-pulse X-ray free-electron laser journal, March 2015

Identification of Structural Relaxation in the Dielectric Response of Water journal, June 2016

Wavelength-tunable split-and-delay optical system for hard X-ray free-electron lasers journal, January 2016

Split-pulse X-ray photon correlation spectroscopy with seeded X-rays from X-ray laser to study atomic-level dynamics journal, December 2020

Water — an enduring mystery
journal, March 2008

A high-quality x-ray scattering experiment on liquid water at ambient conditions
journal, November 2000

X-ray free-electron lasers
journal, November 2010

The structure of water around the compressibility minimum
journal, December 2014

Electron Inelastic Mean Free Paths for LiF, CaF ₂ , Al ₂ O ₃ , and Liquid Water from 433 keV down to the Energy Gap
journal, February 2020

Atomic-Scale Visualization of Ultrafast Bond Breaking in X-Ray-Excited Diamond
journal, March 2021

LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments
journal, July 2018

High resolution X-ray emission spectroscopy of liquid water: The observation of two structural motifs
journal, July 2008

The inhomogeneous structure of water at ambient conditions
journal, August 2009

Two-colour hard X-ray free-electron laser with wide tunability
journal, December 2013

Realizing split-pulse x-ray photon correlation spectroscopy to measure ultrafast dynamics in complex matter
journal, April 2020

Towards ultrafast dynamics with split-pulse X-ray photon correlation spectroscopy at free electron laser sources
journal, April 2018

Inherent structure in water
journal, July 1983

The hydrogen-bond network of water supports propagating optical phonon-like modes
journal, January 2016

Liquid Water: Molecular Correlation Functions from X‐Ray Diffraction
journal, September 1971

XPCS at the European X-ray free electron laser facility
journal, September 2007

The high-frequency dynamics of liquid water
journal, January 1999

Generation of narrow-band X-ray free-electron laser via reflection self-seeding
journal, March 2019

Correlated atomic dynamics in liquid seen in real space and time
journal, November 2020

Two-temperature model in molecular dynamics simulations of cascades in Ni-based alloys
journal, April 2017

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Single-shot beam-position monitor for x-ray free electron laser
journal, February 2011

Transient thermal processes in heavy ion irradiation of crystalline inorganic insulators
journal, May 2000

Electronic effects in high-energy radiation damage in tungsten
journal, March 2015

Coherent X-rays reveal the influence of cage effects on ultrafast water dynamics
journal, May 2018

The structural origin of anomalous properties of liquid water
journal, December 2015

Atomistic Modeling of Warm Dense Matter in the Two-Temperature State
journal, January 2013

Interaction of antigenic peptides with MHC and TCR molecules
journal, September 1995

A semiclassical two-temperature model for ultrafast laser heating
journal, January 2006

Ultrafast Hydrogen-Bond Dynamics in the Infrared Spectroscopy of Water
journal, September 2003

Curie-Weiss behavior of liquid structure and ideal glass state
journal, December 2019

X-ray free electron laser heating of water and gold at high static pressure
journal, June 2021

Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations
journal, December 2006

Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q -range
journal, February 2013

Molecular scale precursor of the liquid–liquid phase transition of water
journal, February 1998

Structure and Dynamics of the TIP3P, SPC, and SPC/E Water Models at 298 K
journal, November 2001

Viscoelastic behavior of water in the terahertz-frequency range: An inelastic x-ray scattering study
journal, November 1999

Measuring temporal speckle correlations at ultrafast x-ray sources
journal, December 2008

High-intensity double-pulse X-ray free-electron laser
journal, March 2015

Identification of Structural Relaxation in the Dielectric Response of Water
journal, June 2016

Wavelength-tunable split-and-delay optical system for hard X-ray free-electron lasers
journal, January 2016

Split-pulse X-ray photon correlation spectroscopy with seeded X-rays from X-ray laser to study atomic-level dynamics
journal, December 2020