Generation of nanoclusters by ultrafast laser ablation of Al: Molecular dynamics study

Miloshevsky, Alexander; Phillips, Mark C.; Harilal, S. S.; Dressman, Phillip; Miloshevsky, G.

doi:10.1103/physrevmaterials.1.063602

Cited by 10 publications

(8 citation statements)

References 39 publications

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“…The angular distribution at which the ablated species and particles are emitted strongly depends on the laser parameters. As shown in Figure 9, femtosecond pulses generate a significantly narrower distribution [181][182][183], attributed to the inertial stress confinement caused by the low optical penetration depth and greater power per unit volume [184,185]. In nanosecond laser ablation, the ablated plume is sharpened for increasing laser spot sizes, which has been explained by Harilal et al with ion acceleration from enhanced laser-plasma coupling [1,186].…”

Section: Mass Transfer and Phase Transitions -Faster Than Greased Lig...mentioning

confidence: 81%

Laser-induced excitation mechanisms and phase transitions in spectrochemical analysis – Review of the fundamentals

Vanraes

Bogaerts

2021

Spectrochimica Acta Part B: Atomic Spectroscopy

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Section: Mass Transfer and Phase Transitions -Faster Than Greased Lig...mentioning

confidence: 81%

Laser-induced excitation mechanisms and phase transitions in spectrochemical analysis – Review of the fundamentals

Vanraes

Bogaerts

2021

Spectrochimica Acta Part B: Atomic Spectroscopy

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“…Gaussian distribution in time and 3D space is used to describe the power density of an ultrashort laser pulse inside the bulk material [100,184]…”

Section: Simplifying Navier-stokes Equationsmentioning

confidence: 99%

“…The hundreds of FD iterations are usually required during every small MD time step that poses an additional computational cost. A simpler momentum scaling model (MSM) can be used to directly account for the heating of the atoms by electrons [184,203,204]. In the MSM approach the momentum (velocity) of kth atom p k = m k v k is rescaled at every time step Δt by a scaling factor β k .…”

Section: Coupling Momentum Scaling Model and MD Approachesmentioning

confidence: 99%

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Ultrafast laser matter interactions: modeling approaches, challenges, and prospects

Miloshevsky

2022

Modelling Simul. Mater. Sci. Eng.

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The irradiation of the target surface by an ultrafast femtosecond (fs) laser pulse produces the extreme nonequilibrium states of matter and subsequent phase transformations. Computational modeling and simulation is a very important tool for gaining insight into the physics processes that govern the laser-matter interactions, and, specifically, for quantitative understanding the laser light absorption, electronion energy exchange, spallation, melting, warm dense matter regime, vaporization, and expansion of plasma plume. High-fidelity predictive modeling of a variety of these multi-physics processes that take place at various time and length scales is extremely difficult, requiring the coupled multi-physics and multi-scale models. This topical review covers progress and advances in developing the modeling approaches and performing the state-of-the-art simulations of fs laser-pulse interactions with solids and plasmas. A complete kinetic description of a plasma based on the most accurate Vlasov-Maxwell set of equations is first presented and discussed in detail. After that an exact kinetic model that encompasses the microscopic motions of all the individual particles, their charge and current densities, generated electric and magnetic fields, and the effects of these field on the motion of charged particles in a plasma is briefly reviewed. The methodology of kinetic particle-in-cell (PIC) approach that is well suitable for computational studies of the non-linear processes in laser-plasma interactions is then presented. The hydrodynamic models used for the description of plasmas under the assumption of a local thermodynamic equilibrium include the two-fluid and two-temperature model and its simplifications. The two-temperature model coupled with molecular dynamics (MD) method is finally discussed. Examples are illustrated from research areas such as applications of the fully kinetic, PIC, hydrodynamic, and MD models to studies of ultrafast laser-matter interactions. Challenges and prospects in the development of computational models and their applications to the modeling of ultrafast intense laser-solid and laser-plasma interactions are overviewed.

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“…FD methods have been employed previously to study the bilayer thickness deformations induced by gramicidin channels [43,44,82,90,114], MscL [31], G-protein coupled receptors [93,94,96], and the bacterial leucine transporter [96]. In our FD scheme, we discretize the lipid bilayer domain of interest using a hexagonal grid with H × H nodes and lattice spacing h [see Fig.…”

Section: B Finite Differencesmentioning

confidence: 99%

Bilayer-thickness-mediated interactions between integral membrane proteins

et al. 2016

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Hydrophobic thickness mismatch between integral membrane proteins and the surrounding lipid bilayer can produce lipid bilayer thickness deformations. Experiment and theory have shown that protein-induced lipid bilayer thickness deformations can yield energetically favorable bilayermediated interactions between integral membrane proteins, and large-scale organization of integral membrane proteins into protein clusters in cell membranes. Within the continuum elasticity theory of membranes, the energy cost of protein-induced bilayer thickness deformations can be captured by considering compression/expansion of the bilayer hydrophobic core, membrane tension, and bilayer bending, resulting in biharmonic equilibrium equations describing the shape of lipid bilayers for a given set of bilayer-protein boundary conditions. Here we develop a combined analytic and numerical methodology for the solution of the equilibrium elastic equations associated with protein-induced lipid bilayer deformations. Our methodology allows accurate prediction of thickness-mediated protein interactions for arbitrary protein symmetries at arbitrary protein separations and relative orientations. We provide exact analytic solutions for cylindrical integral membrane proteins with constant and varying hydrophobic thickness, and develop perturbative analytic solutions for noncylindrical protein shapes. We complement these analytic solutions, and assess their accuracy, by developing both finite element and finite difference numerical solution schemes. We provide error estimates of our numerical solution schemes and systematically assess their convergence properties. Taken together, the work presented here puts into place an analytic and numerical framework which allows calculation of bilayer-mediated elastic interactions between integral membrane proteins for the complicated protein shapes suggested by structural biology and at the small protein separations most relevant for the crowded membrane environments provided by living cells.

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Generation of nanoclusters by ultrafast laser ablation of Al: Molecular dynamics study

Cited by 10 publications

References 39 publications

Laser-induced excitation mechanisms and phase transitions in spectrochemical analysis – Review of the fundamentals

Laser-induced excitation mechanisms and phase transitions in spectrochemical analysis – Review of the fundamentals

Ultrafast laser matter interactions: modeling approaches, challenges, and prospects

Bilayer-thickness-mediated interactions between integral membrane proteins

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