We Are Never Ever Getting (back to) Ideal Symmetry: Structure and Luminescence in a Ten-Coordinated Europium(III) Sulfate Crystal

Our theoretical treatment of electronic structure in coordination complexes often rests on assumptions of symmetry. Experiments rarely provide fully symmetric systems to study. In solution, fluctuation in solvation, variations in conformation, and even changes in constitution occur and complicates the picture. In crystals, lattice distortion, energy transfer, and phonon quenching is in play, but we are able to have distinct symmetries. Yet the question remains: How is the real symmetry in a crystal compared to ideal symmetries? Moreover, at what level of detail do we need to study a system to determine, if the electronic structure behaves as if it has ideal symmetry? Here, we have revisited the Continues Shape Measurement (CShM) approach developed by Ruiz-Martínez and Alvarez to evaluate the structure of ten-coordinated europium(III) ions in a K5Na[Eu2(SO4)6] structure. By comparing the result of the symmetry deviation analysis to luminescence data, we are able to show the effect of small deviations from ideal symmetry. We suggest using a symmetry deviation value, σideal, determined by using our updated approach to Continues Shape Measurements, where we also align the structure via our AlignIt code. AlignIt includes normalization and relative orientation in the symmetry comparison, and by combining the calculated values with the experimentally determined energy level splitting, we were able create the first point on a scale that can show how close to ideal an experimental structure actually is.

Geometric Mediator Structures, Transition Dynamics and Force Constants

It is shown in the present work that the distorted-space model of matter can describe conventional force-constants and transition-mediator structures. We use the verbiage “distorted” to communicate the concept of “energetic warping” to distinguish “spatial warping” from “classical matter warping”, although the concept of “matter” is in fact, in the present context, the “geometric distortion energy” of the spatial manifold itself without a classical “matter stressenergy source”. The “distorted-geometry” structures exhibit non-Newtonian features wherein the hole or core-region fields of the structures are energetically-repulsive (negative pressure), do not behave functionally in an r -4 manner and terminate at zero at the radial origin (no singularity). Near the core of the distortion the magnetic fields dominate the energy-densities of the structures thereby departing from classical particle-structure descriptions. Black-body radiation-emission and structural modeling lead to a description of transition dynamics and photonic entities.

Geometric Mediator Structures, Transition Dynamics and Force Constants

It is shown in the present work that the distorted-space model of matter can describe conventional force-constants and transition-mediator structures. We use the verbiage “distorted” to communicate the concept of “energetic warping” to distinguish “spatial warping” from “classical matter warping”, although the concept of “matter” is in fact, in the present context, the “geometric distortion energy” of the spatial manifold itself without a classical “matter stressenergy source”. The “distorted-geometry” structures exhibit non-Newtonian features wherein the hole or core-region fields of the structures are energetically-repulsive (negative pressure), do not behave functionally in an r -4 manner and terminate at zero at the radial origin (no singularity). Near the core of the distortion the magnetic fields dominate the energy-densities of the structures thereby departing from classical particle-structure descriptions. Black-body radiation-emission and structural modeling lead to a description of transition dynamics and photonic entities.

Geometric Mediator Structures, Transition Dynamics and Force Constants

It is shown in the present work that the distorted-space model of matter can describe conventional force-constants and transition-mediator structures. We use the verbiage “distorted” to communicate the concept of “energetic warping” to distinguish “spatial warping” from “classical matter warping”, although the concept of “matter” is in fact, in the present context, the “geometric distortion energy” of the spatial manifold itself without a classical “matter stressenergy source”. The “distorted-geometry” structures exhibit non-Newtonian features wherein the hole or core-region fields of the structures are energetically-repulsive (negative pressure), do not behave functionally in an r -4 manner and terminate at zero at the radial origin (no singularity). Near the core of the distortion the magnetic fields dominate the energy-densities of the structures thereby departing from classical particle-structure descriptions. Black-body radiation-emission and structural modeling lead to a description of transition dynamics and photonic entities.

Geometric Mediator Structures, Transition Dynamics and Force Constants

It is shown in the present work that the distorted-space model of matter can describe conventional force-constants and transition-mediator structures. We use the verbiage “distorted” to communicate the concept of “energetic warping” to distinguish “spatial warping” from “classical matter warping”, although the concept of “matter” is in fact, in the present context, the “geometric distortion energy” of the spatial manifold itself without a classical “matter stressenergy source”. The “distorted-geometry” structures exhibit non-Newtonian features wherein the hole or core-region fields of the structures are energetically-repulsive (negative pressure), do not behave functionally in an r -4 manner and terminate at zero at the radial origin (no singularity). Near the core of the distortion the magnetic fields dominate the energy-densities of the structures thereby departing from classical particle-structure descriptions. Black-body radiation-emission and structural modeling lead to a description of transition dynamics and photonic entities.

Dynamic Response Mechanism of Impact Instability Induced by Dynamic Load Disturbance to Surrounding Rock in High Static Loading Roadway

Deep high static loading roadway is extremely prone to rock burst under dynamic load disturbance. The “force-energy criterion” for the failure of surrounding rock in such deep roadways and the “energy criterion” for the rock burst was established by considering the stress and energy evolution characteristics of rock burst under this circumstance. Under the engineering background of the main roadway in No.1 mining area of Gaojiapu Coal Mine in Binchang Mining Area, Shaanxi Province, China, the partial stress field and distortion energy field of surrounding rock in the main roadway and the spatial-temporal evolution laws under dynamic load disturbance were simulated and analyzed by using a built-in dynamic module of FLAC3D. Results show that after the dynamic load disturbance, the partial stress and distortion energy are concentrated in the shallow part at two walls of the roadway in the early phase. With the continuous propagation of dynamic load stress wave, the partial stress and distortion energy are transferred to the deep part. The sudden high-energy release occurred in the peak zone of partial stress, leading to the plastic failure of coal and rock mass. Subsequently, the distortion energy was fully accumulated in the original plastic zone and transferred from shallow surrounding rocks to the deep surrounding rocks in the roadway, where the partial stress and distortion energy of coal and rock mass reached the yield conditions. Thus, the original plastic zone was sharply expanded, thereby forming a new plastic zone. The coal and rock mass experienced an approximately static failure when no residual energy (ΔU) was found in it. When ΔU > 0, the rock mass experienced dynamic failure, and ΔU was mainly the volume transformation energy, which is approximately one-half of the total elastic strain energy. ΔU was transformed into the initial kinetic energy of broken coal and rock mass. Thus, the coal and rock mass are burst out. In severe cases, this condition was manifested by the rock burst in the main roadway. An optimization scheme of prevention and control measures for rock burst was proposed on the basis of the above conclusions. The microseismic activity laws before and after the unloading were compared, and a good effect was achieved. The research results can lay a theoretical foundation for predicting and preventing rock bursts in coal mines by actively regulating the disaster-pregnant environment and mitigating the disaster-inducing conditions.

Distortion energy-electronic energy compensation determines the nature of solute interactions with irradiation induced vacancies in ferritic steel

Fundamental knowledge of vacancy–solute atom (in particular, Cu and Ni) interactions at the electronic level is of utmost importance to understand experimentally observed Cu-precipitation in reactor pressure vessel (RPV) steel.