Effect of radiation-induced vacancy saturation on the first-order phase transformation in nanoparticles: insights from a model

• Aram Shirinyan and
• Yuriy Bilogorodskyy

Beilstein J. Nanotechnol. 2024, 15, 1453–1472, doi:10.3762/bjnano.15.117

• /bjnano.15.117 Abstract By employing a model of nanomaterials with polymorphic phase transitions and using a thermodynamic approach to describe the effects of vacancy saturation, irradiation dose, powder dispersion, and surface energies, we demonstrate the possibility of radiation-induced phase

• ) the nucleation of a new phase. We leverage this competition to develop a fundamental description, employing both a thermodynamic approach based on the calculation of Gibbs free energy and a kinetic approach based on chemical rate theory. Given the complexity arising from multiple factors, it is

• , in order to study the effect of radiation on structure change. The paper is organized as follows: In Section “Theory”, we develop a thermodynamic approach and discuss a kinetic model of steady-state concentrations of radiation-induced defects based on chemical rate theory. Section “Results” focuses

Stick–slip boundary friction mode as a second-order phase transition with an inhomogeneous distribution of elastic stress in the contact area

• Iakov A. Lyashenko,
• Vadym N. Borysiuk and
• Valentin L. Popov

Beilstein J. Nanotechnol. 2017, 8, 1889–1896, doi:10.3762/bjnano.8.189

• /bjnano.8.189 Abstract This article presents an investigation of the dynamical contact between two atomically flat surfaces separated by an ultrathin lubricant film. Using a thermodynamic approach we describe the second-order phase transition between two structural states of the lubricant which leads to

• configuration, the velocities of the friction surface and driving device are not equal, which significantly affects the friction mode. In the present paper, we study this situation using a previously developed technique [18]. In our research we use a thermodynamic approach, as proposed in [10], which gives

• relevant physical results. The dependence of the order parameter on elastic strain in the lubricant layer, obtained using the above-mentioned thermodynamic approach, agrees with the similar data obtained from computational studies [14][15][16]. Moreover, strain–stress curves obtained in [10] are confirmed

Two-phase equilibrium states in individual Cu–Ni nanoparticles: size, depletion and hysteresis effects

• Aram S. Shirinyan

Beilstein J. Nanotechnol. 2015, 6, 1811–1820, doi:10.3762/bjnano.6.185

• isolated nanoparticle; surface-induced size effect; thermodynamic approach; Introduction One of the key questions in nanoscience is related to the problem of equilibrium phase diagrams variation for multicomponent finite systems with size decreasing. One of the most extensively studied size effects (first

• for individual Cu–Ni nanoparticles) providing new insights into first-order phase transition problem for nanosystems and basic concepts of phase diagram and solubility diagram in materials science. The structure of the paper is as follows. First we give in brief the general thermodynamic approach

• the condition of the energy minimum are constructed and the difference between the equilibrium and solubility curves is explained. The concluding remarks are given in last part of the manuscript. Theory: thermodynamic approach for phase transformation Surface-induced size effect Let us first briefly

Constant chemical potential approach for quantum chemical calculations in electrocatalysis

• Wolfgang B. Schneider and
• Alexander A. Auer

Beilstein J. Nanotechnol. 2014, 5, 668–676, doi:10.3762/bjnano.5.79

• it is currently still open to debate if the pure thermodynamic approach is sufficient for certain processes. Generally, electronic structure methods can roughly be divided in two subcategories, i.e., methods that treat the system within a unit cell by using periodic boundary conditions and methods