Dissipative Particle Dynamics Simulation of Ultrasound Propagation through Liquid Water
| Autor: | Petra Papež, Matej Praprotnik |
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| Rok vydání: | 2022 |
| Předmět: | |
| Zdroj: | Journal of chemical theory and computation, vol. 18, no. 2, 2022. |
| ISSN: | 1549-9626 1549-9618 |
| DOI: | 10.1021/acs.jctc.1c01020 |
| Popis: | Ultrasound is widely used as a noninvasive method in therapeutic and diagnostic applications. These can be further optimized by computational approaches, as they allow for controlled testing and rational optimization of the ultrasound parameters, such as frequency and amplitude. Usually, continuum numerical methods are used to simulate ultrasound propagating through different tissue types. In contrast, ultrasound simulations using particle description are less common, as the implementation is challenging. In this work, a dissipative particle dynamics model is used to perform ultrasound simulations in liquid water. The effects of frequency and thermostat parameters are studied and discussed. We show that frequency and thermostat parameters affect not only the attenuation but also the computed speed of sound. The present study paves the way for development and optimization of a virtual ultrasound machine for large-scale biomolecular simulations. |
| Databáze: | OpenAIRE |
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