Optical tweezers: Phototoxicity and thermal stress in cells and biomolecules
A Blázquez-Castro - Micromachines, 2019 - mdpi.com
For several decades optical tweezers have proven to be an invaluable tool in the study and
analysis of myriad biological responses and applications. However, as with every tool, they …
analysis of myriad biological responses and applications. However, as with every tool, they …
Nonequilibrium molecular dynamics simulations of the thermal conductivity of water: A systematic investigation of the SPC/E and TIP4P/2005 models
We report an extensive nonequilibrium molecular dynamics investigation of the thermal
conductivity of water using two of the most accurate rigid nonpolarizable empirical models …
conductivity of water using two of the most accurate rigid nonpolarizable empirical models …
Exergy‐based performance indicators for industrial practice
E Magnanelli, OT Berglihn… - International Journal of …, 2018 - Wiley Online Library
Key performance indicators (KPIs) are powerful tools that industries can use not only to
monitor their activities but also to highlight their unexploited potential. Energy‐based KPIs …
monitor their activities but also to highlight their unexploited potential. Energy‐based KPIs …
Alkali halide solutions under thermal gradients: Soret coefficients and heat transfer mechanisms
We report an extensive analysis of the non-equilibrium response of alkali halide aqueous
solutions (Na+/K+–Cl–) to thermal gradients using state of the art non-equilibrium molecular …
solutions (Na+/K+–Cl–) to thermal gradients using state of the art non-equilibrium molecular …
A molecular dynamics study of the effects of crystalline structure transition on the thermal conductivity of pentaerythritol as a solid-solid phase change material
A typical polyol that experiences solid-solid phase transitions, pentaerythritol (PE) has been
proposed as a promising phase change material candidate for latent heat storage pertinent …
proposed as a promising phase change material candidate for latent heat storage pertinent …
Thermomolecular orientation of nonpolar fluids
We investigate the response of molecular fluids to temperature gradients. Using
nonequilibrium molecular dynamics computer simulations we show that nonpolar diatomic …
nonequilibrium molecular dynamics computer simulations we show that nonpolar diatomic …
Thermophysical properties of water using reactive force fields
OR Gittus, F Bresme - The Journal of Chemical Physics, 2021 - pubs.aip.org
The widescale importance and rich phenomenology of water continue to motivate the
development of computational models. ReaxFF force fields incorporate many characteristics …
development of computational models. ReaxFF force fields incorporate many characteristics …
Non-equilibrium simulations of thermally induced electric fields in water
Using non-equilibrium molecular dynamics simulations, it has been recently demonstrated
that water molecules align in response to an imposed temperature gradient, resulting in an …
that water molecules align in response to an imposed temperature gradient, resulting in an …
Water polarization induced by thermal gradients: The extended simple point charge model (SPC/E)
JA Armstrong, F Bresme - The Journal of Chemical Physics, 2013 - pubs.aip.org
We investigate the non-equilibrium response of extended simple point charge (SPC/E) water
to thermal gradients. Using non-equilibrium molecular dynamics simulations, we show that …
to thermal gradients. Using non-equilibrium molecular dynamics simulations, we show that …
Effect of thermal gradients created by electromagnetic fields on cell-membrane electroporation probed by molecular-dynamics simulations
The use of nanosecond-duration-pulsed voltages with high-intensity electric fields (∼ 100
kV/cm) is a promising development with many biomedical applications. Electroporation …
kV/cm) is a promising development with many biomedical applications. Electroporation …