Virtual ultrasound machine operating in a GHz to MHz frequency range for particle-based biomedical simulations

• 成果类型: Article
• 署名作者: Coko, Urban; Potisk, Tilen; Praprotnik, Matej
• 署名单位: National Institute of Chemistry - Slovenia; University of Ljubljana; University of Barcelona
• 刊物名称: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
• ISSN/ISSBN: 0027-8424; 1091-6490
• DOI: 10.1073/pnas.2610567123
• 发表日期: 2026-07-21
• 页码: e2610567123
• 关键词: ultrasound; compressibility; smoothed dissipative particle dynamics; acoustophoresis; particle-based simulations; BIOMOLECULAR ULTRASOUND; conformational-change; force-field; sph; cells; FLOW; enrichment; SEPARATION; algorithm; proteins

摘要

Ultrasound-matter interactions underpin numerous biomedical and soft-matter applications, yet simulating these phenomena is challenging due to the large separation of viscous and sonic time scales. Continuum methods capture large-scale wave propagation but cannot resolve microscale interactions, while particle-based approaches offer molecular resolution but struggle with efficiency and stability at larger scales. We introduce a particle-based virtual ultrasound machine that uses a smoothed dissipative particle dynamics variant with an implicit pressure solver and a negative-pressure stabilization scheme, required to mimic acoustic propagation across medically relevant MHz-GHz frequencies. We demonstrate its capabilities by modeling the acoustophoresis of encapsulated microbubbles, a key mechanism in ultrasound-mediated drug delivery. Beyond this application, the approach establishes a generalizable platform for simulating wave-matter interactions in soft and biological materials, opening promising directions for computational studies of acoustics-driven phenomena in science and engineering.