Modeling photoacoustic pressure generation in colloidal suspensions at different volume fractions based on a multi-scale approach.

Further development of quantitative photoacoustic tomography requires understanding the photoacoustic pressure generation by modeling the generation process. This study modeled the initial photoacoustic pressure in colloidal suspensions, used as tissue phantoms, at different volume fractions on a multi-scale approach. We modeled the thermodynamic and light scattering properties on a microscopic scale with/without treating the hard-sphere interaction between colloidal particles. Meanwhile, we did the light energy density on a macroscopic scale. We showed that the hard-sphere interaction significantly influences the initial pressure and related quantities at a high volume fraction except for the thermodynamic properties. We also showed the initial pressure at the absorber inside the medium logarithmically decreases with increasing the volume fractions. This result is mainly due to the decay of the light energy density with light scattering. Our numerical results suggest that modeling light scattering and propagation is crucial over modeling thermal expansion.

Model equations of light scattering properties and a characteristic time of light propagation for polydisperse colloidal suspensions at different volume fractions.

We developed model equations of light scattering properties and a characteristic time of light propagation for polydisperse colloidal suspensions at different volume fractions. By the model equations, we examined numerical results using the first-order (dependent) scattering theory (FST) and radiative transfer theory in 600-980 nm wavelength. The model equations efficiently treat the interference of electric fields scattered from colloidal particles by a single effective coefficient, providing fast computation. Meanwhile, the FST provides accurate but complicated treatment. We found the interference effects on the scattering properties and characteristic time depend linearly on wavelength. Dimensionless analysis showed a simple mechanism of the interference effects, independently of wavelength and source-detector distance.

Molecular dynamics study on characteristics of reflection and condensation molecules at vapor-liquid equilibrium state.

The kinetic boundary condition (KBC) represents the evaporation or condensation of molecules at the vapor-liquid interface for molecular gas dynamics (MGD). When constructing the KBC, it is necessary to classify molecular motions into evaporation, condensation, and reflection in molecular-scale simulation methods. Recently, a method that involves setting the vapor boundary and liquid boundary has been used for classifying molecules. The position of the vapor boundary is related to the position where the KBC is applied in MGD analyses, whereas that of the liquid boundary has not been uniquely determined. Therefore, in this study, we conducted molecular dynamics simulations to discuss the position of the liquid boundary for the construction of KBCs. We obtained some variables that characterize molecular motions such as the positions that the molecules reached and the time they stayed in the vicinity of the interface. Based on the characteristics of the molecules found from these variables, we investigated the valid position of the liquid boundary. We also conducted an investigation on the relationship between the condensation coefficient and the molecular incident velocity from the vapor phase to the liquid phase. The dependence of the condensation coefficient on the incident velocity of molecules was confirmed, and the value of the condensation coefficient becomes small in the low-incident-velocity range. Furthermore, we found that the condensation coefficient in the non-equilibrium state shows almost the same value as that in the equilibrium state, although the corresponding velocity distribution functions of the incident velocity significantly differ from each other.

Photon transport model for dense polydisperse colloidal suspensions using the radiative transfer equation combined with the dependent scattering theory.

In near-infrared imaging and spectroscopy, high-fidelity modeling of photon transport for dense polydisperse colloidal suspensions is crucial. We developed photon transport models using the radiative transfer equation (RTE) with the dependent scattering theory (DST) at volume fractions up to 20%. The polydispersity and interference effects strongly influence results of the scattering properties and the RTE in cases of small mean diameter and large variance of the particle size distribution. We compared the RTE-results for the Henyey-Greenstein (conventional) function with those for the phase function using the DST. The RTE-results differ between both functions at low volume fractions for forward scattering media, suggesting the limitation of the conventional function.

Author Correction: Evaporation coefficient and condensation coefficient of vapor under high gas pressure conditions.

An amendment to this paper has been published and can be accessed via a link at the top of the paper.

Evaporation coefficient and condensation coefficient of vapor under high gas pressure conditions.

We investigated the evaporation and condensation coefficients of vapor, which represent evaporation and condensation rates of vapor molecules, under high gas pressure (high gas density) conditions in a system of a vapor/gas-liquid equilibrium state. The mixture gas is composed of condensable gas (vapor) and non-condensable gas (NC gas) molecules. We performed numerical simulations of vapor/gas-liquid equilibrium systems with the Enskog-Vlasov direct simulation Monte Carlo (EVDSMC) method. As a result of the simulations, we found that the evaporation and condensation fluxes decrease with increasing NC gas pressure, which leads to a decrease in the evaporation and condensation coefficients of vapor molecules. Especially, under extremely high gas pressure conditions, the values of these coefficients are close to zero, which means the vapor molecules cannot evaporate and condensate at the interface. Moreover, we found that the vapor molecules behave as NC gas molecules under high gas pressure conditions. We also discussed the reason why NC gas molecules interfere with evaporation and condensation of vapor molecules at the vapor/gas-liquid interface.

Shock wave-bubble interaction near soft and rigid boundaries during lithotripsy: numerical analysis by the improved ghost fluid method.

In the case of extracorporeal shock wave lithotripsy (ESWL), a shock wave-bubble interaction inevitably occurs near the focusing point of stones, resulting in stone fragmentation and subsequent tissue damage. Because shock wave-bubble interactions are high-speed phenomena occurring in tissue consisting of various media with different acoustic impedance values, numerical analysis is an effective method for elucidating the mechanism of these interactions. However, the mechanism has not been examined in detail because, at present, numerical simulations capable of incorporating the acoustic impedance of various tissues do not exist. Here, we show that the improved ghost fluid method (IGFM) can treat shock wave-bubble interactions in various media. Nonspherical bubble collapse near a rigid or soft tissue boundary (stone, liver, gelatin and fat) was analyzed. The reflection wave of an incident shock wave at a tissue boundary was the primary cause for the acceleration or deceleration of bubble collapse. The impulse that was obtained from the temporal evolution of pressure created by the bubble collapse increased the downward velocity of the boundary and caused subsequent boundary deformation. Results of this study showed that the IGFM is a useful method for analyzing the shock wave-bubble interaction near various tissues with different acoustic impedance.