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Anomalous entropy-driven kinetics of dislocation nucleation.

Nat Commun

January 2025

Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM, USA.

The kinetics of dislocation reactions, such as dislocation multiplication, controls the plastic deformation in crystals beyond their elastic limit, therefore critical mechanisms in a number of applications in materials science. We present a series of large-scale molecular dynamics simulations that shows that one such type of reactions, the nucleation of dislocation at free surfaces, exhibit unconventional kinetics, including unexpectedly large nucleation rates under compression, very strong entropic stabilization under tension, as well as strong non-Arrhenius behavior. These unusual kinetics are quantitatively rationalized using a variational transition state theory approach coupled with an efficient numerical scheme for the estimation of vibrational entropy changes.

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Background: Improving the compatibility between polylactic acid (PLA) and lignin is crucial for developing innovative PLA-based controlled release systems for pesticides. This study addresses the challenge of enhancing the compatibility of alkali lignin (AL) with PLA by acetylated lignin (ACL). The main aim is to synthesize and evaluate pesticide-loaded microspheres for controlled release performance using fluazinam (FZ) as the model pesticide.

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Controlled-release microparticles offer a promising avenue for enhancing patient compliance and minimizing dosage frequency. In this study, we aimed to design controlled-release microparticles of Glipizide utilizing Eudragit S100 and Methocel K 100 M polymers as controlling agents. The microparticles were fabricated through a simple solvent evaporation method, employing various drug-to-polymer ratios to formulate different controlled-release batches labeled as F1 to F5.

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We consider turbulence of waves interacting weakly via four-wave scattering (sea waves, plasma waves, spin waves, etc.). In the first order in the interaction, a closed kinetic equation has stationary solutions describing turbulent cascades.

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We apply the trajectory formulation to analyze the anomalous dynamics of cold atoms in an optical lattice. The phase space probability density function of cold atoms, their dynamics, and the mechanism of dynamic evolution from an initial Gaussian distribution to a power-law distribution are analyzed. The results of the trajectory formulation are in good agreement with the previously reported experimental results for the exponent of position variance for a long time and the position-momentum correlation.

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