Molecular dynamics in low vibrational states investigated by fs time-resolved coherent anti-Stokes Raman spectroscopy technique

He, Peng; Li, Sining; Fan, Rongwei; Xia, Yuanqin; Yu, Xin; Yao, Yong; Chen, Deying

doi:10.1016/j.optcom.2011.05.040

Cited by 11 publications

(5 citation statements)

References 35 publications

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“…At this stage, the time for carrying out the simulation is defined. [50][51][52][53][54][55] This time is calculated from the semi-empirical equation obtained from the equipartition principle. [56][57][58][59] After the simulation time calculation, forces that drive the movement of each atom are determined.…”

Section: Methodsmentioning

confidence: 99%

Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

Aristizabal¹,

Parra²

2016

Chinese Phys. B

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This work has two main purposes: (i) introducing the basic concepts of molecular dynamics analysis to material scientists and engineers, and (ii) providing a better understanding of instrumented indentation measurements, presenting an example of nanoindentation and scratch test simulations. To reach these purposes, three-dimensional molecular dynamics (MD) simulations of nanoindentation and scratch test technique were carried out for generic thin films that present BCC crystalline structures. Structures were oriented in the plane (100) and placed on FCC diamond substrates. A pair wise potential was employed to simulate the interaction between atoms of each layer and a repulsive radial potential was used to represent a spherical tip indenting the sample. Mechanical properties of this generic material were obtained by varying the indentation depth and dissociation energy. The load-unload curves and coefficient of friction were found for each test; on the other hand, dissociation energy was varied showing a better mechanical response for films that present grater dissociation energy. Structural change evolution was observed presenting vacancies and slips as the depth was varied.

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Section: Methodsmentioning

confidence: 99%

Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

Aristizabal¹,

Parra²

2016

Chinese Phys. B

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“…The most successful among these techniques have undoubtedly been coherent anti-Stokes Raman spectroscopy (CARS) and stimulated Raman spectroscopy (SRS). Evolved versions of these techniques are in use nowadays in numerous laboratories for applications as diverse as high-resolution spectroscopy, 4 thermometry, 5,6 molecular dynamics, 7,8 or imaging and biomedical studies. 9,10 SRS was initially developed by Owyoung using continuous wave (cw) lasers.…”

Section: Introductionmentioning

confidence: 99%

“…Stokes Raman spectroscopy (CARS) and stimulated Raman spectroscopy (SRS). Evolved versions of these techniques are in use nowadays in numerous laboratories for applications as diverse as high-resolution spectroscopy, 4 thermometry, 5,6 molecular dynamics, 7,8 or imaging and biomedical studies. 9,10 SRS was initially developed by Owyoung using continuous wave (cw) lasers.…”

mentioning

confidence: 99%

High‐resolution stimulated Raman spectroscopy of low‐frequency rotational transitions: Obtention of collisional broadening coefficients in the rotational S branch of CO perturbed by H₂

Paredes‐Roibás

Martínez

2023

J Raman Spectroscopy

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We demonstrate the application of high‐resolution quasi‐continuous (q‐cw) stimulated Raman spectroscopy (SRS) to the study of low‐frequency, pure rotational transitions of molecules in diluted samples in order to obtain collisional information. The main problems encountered in the few pioneering q‐cw SRS rotational works, namely weak signals because of the small population differences between the upper and lower states of the transitions and the presence of alternating current (AC) Stark effect, have been addressed: technical improvements in the optical elements that perform the beam mixing, separation, and filtering have allowed us to use a collinear beam geometry and a triple pass configuration to enhance the Raman signals. The distortions in the line profiles caused by AC Stark effect have been measured and included in the numerical treatment of the spectra. With these extended capabilities, we have been able to register stimulated Raman transitions with wavenumbers as low as ∼ 11.5 cm−1, corresponding to the S(0) pure rotational transition of the molecule of CO. We have applied the setup to the study of collisional broadening of CO rotational lines perturbed by H2 and have obtained broadening coefficients for lines from S(0) to S(20) at 77, 180, and 298 K. A comparison between these anisotropic coefficients and those obtained from IR rovibrational experiments shows excellent agreement. This is, to our knowledge, the first demonstration of the use of rotational SRS for the obtention of collisional information in diluted gas samples.

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“…If two or more vibrational modes are excited simultaneously, polarization beats will be observed in the CARS transients when probed by femtosecond pulses. 1,[18][19][20][21] Using femtosecond tr-CARS, spectral information can be obtained not only directly from the frequency domain, but also through the analysis of polarization beats, which may have higher precision. With the advances in laser and photodetector technology, femtosecond CARS has achieved higher detection sensitivity and can provide more and more detailed characteristics of vibration dynamics in experiments.…”

Section: Introductionmentioning

confidence: 99%

Femtosecond coherent anti-Stokes Raman spectroscopy study of vibrational dynamics of liquid chloroform

Song

Zeng

et al. 2022

RSC Adv.

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Molecular dynamics in low vibrational states investigated by fs time-resolved coherent anti-Stokes Raman spectroscopy technique

Cited by 11 publications

References 35 publications

Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

High‐resolution stimulated Raman spectroscopy of low‐frequency rotational transitions: Obtention of collisional broadening coefficients in the rotational S branch of CO perturbed by H₂

Femtosecond coherent anti-Stokes Raman spectroscopy study of vibrational dynamics of liquid chloroform

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Molecular dynamics in low vibrational states investigated by fs time-resolved coherent anti-Stokes Raman spectroscopy technique

Cited by 11 publications

References 35 publications

Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

Atomic-scale simulations of material behaviors and tribology properties for BCC metal film

High‐resolution stimulated Raman spectroscopy of low‐frequency rotational transitions: Obtention of collisional broadening coefficients in the rotational S branch of CO perturbed by H2

Femtosecond coherent anti-Stokes Raman spectroscopy study of vibrational dynamics of liquid chloroform

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High‐resolution stimulated Raman spectroscopy of low‐frequency rotational transitions: Obtention of collisional broadening coefficients in the rotational S branch of CO perturbed by H₂