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Related Concept Videos

Atomic Nuclei: Nuclear Relaxation Processes01:23

Atomic Nuclei: Nuclear Relaxation Processes

630
In the absence of an external magnetic field, nuclear spin states are degenerate and randomly oriented. When a magnetic field is applied, the spins begin to precess and orient themselves along (lower energy) or against (higher energy) the direction of the field. At equilibrium, a slight excess population of spins exists in the lower energy state. Because the direction of the magnetic field is fixed as the z-axis,  the precessing magnetic moments are randomly oriented around the z-axis.
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Atomic Nuclei: Types of Nuclear Relaxation01:28

Atomic Nuclei: Types of Nuclear Relaxation

262
Nuclear relaxation restores the equilibrium population imbalance and can occur via spin–lattice or spin–spin mechanisms, which are first-order exponential decay processes.
In spin–lattice or longitudinal relaxation, the excited spins exchange energy with the surrounding lattice as they return to the lower energy level. Among several mechanisms that contribute to spin–lattice relaxation, magnetic dipolar interactions are significant. Here, the excited nucleus transfers...
262
Atomic Nuclei: Nuclear Spin State Population Distribution01:14

Atomic Nuclei: Nuclear Spin State Population Distribution

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Near absolute zero temperatures, in the presence of a magnetic field, the majority of nuclei prefer the lower energy spin-up state to the higher energy spin-down state. As temperatures increase, the energy from thermal collisions distributes the spins more equally between the two states. The Boltzmann distribution equation gives the ratio of the number of spins predicted in the spin −½ (N−) and spin +½ (N+) states.
950
Electron Configuration of Multielectron Atoms03:26

Electron Configuration of Multielectron Atoms

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The alkali metal sodium (atomic number 11) has one more electron than the neon atom. This electron must go into the lowest-energy subshell available, the 3s orbital, giving a 1s22s22p63s1 configuration. The electrons occupying the outermost shell orbital(s) (highest value of n) are called valence electrons, and those occupying the inner shell orbitals are called core electrons. Since the core electron shells correspond to noble gas electron configurations, we can abbreviate electron...
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Atomic Nuclei: Magnetic Resonance01:05

Atomic Nuclei: Magnetic Resonance

632
The number of nuclear spins aligned in the lower energy state is slightly greater than those in the higher energy state. In the presence of an external magnetic field, as the spins precess at the Larmor frequency, the excess population results in a net magnetization oriented along the z axis. When a pulse or a short burst of radio waves at the Larmor frequency is applied along the x axis, the coupling of frequencies causes resonance and flips the nuclear spins of the excess population from the...
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Atomic Radii and Effective Nuclear Charge03:08

Atomic Radii and Effective Nuclear Charge

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The elements in groups of the periodic table exhibit similar chemical behavior. This similarity occurs because the members of a group have the same number and distribution of electrons in their valence shells.
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Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid
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Phase behavior and atomic dynamics in RbNa1-: insights from machine learning interatomic potentials based onab

A Irie1, A Koura1, K Shimamura1

  • 1Department of Physics, Kumamoto University, Kumamoto 860-8555, Japan.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|November 8, 2024
PubMed
Summary
This summary is machine-generated.

This study reveals key factors influencing the phase diagram of liquid alkali metal alloys like Rubidium-Sodium (Rb-Na). Understanding energy, entropy, volume, and atomic mass is crucial for their application in coolants and batteries.

Keywords:
ab initio molecular dynamicsalkali metal alloyfree energymachine learning interatomic potentialphase diagramthermodynamic integrationthermodynamics

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Computational Materials Science

Background:

  • Liquid alkali metal alloys are vital for advanced applications like coolants and batteries.
  • Limited understanding of their complex phase behavior hinders safe and effective utilization.
  • Environmental conservation and technological progress drive research in these systems.

Purpose of the Study:

  • To comprehensively investigate factors determining the phase diagram of RbNa1-x liquid alloys.
  • To understand the interplay of thermodynamic and structural properties influencing phase stability.
  • To elucidate the dynamic behavior and atomic interactions within these alloys.

Main Methods:

  • Employed thermodynamic integration and machine learning interatomic potentials.
  • Utilized *ab initio* molecular dynamics simulations to reproduce experimental results.
  • Analyzed energy, entropy, volume, atomic mass, coordination numbers, and diffusion dynamics.

Main Results:

  • Uncovered the critical balance between energy and entropy contributions to phase stability.
  • Identified volume and atomic mass as significant factors in the liquid phase.
  • Observed distinct atomic clustering: Na atoms avoided proximity, Rb atoms clustered.
  • Revealed asymmetric diffusion dynamics: Rb diffusion increased with concentration, Na diffusion decreased.

Conclusions:

  • Provides significant insights into the phase stability of RbNa1-x liquid alloys.
  • Highlights the importance of understanding structural and dynamic properties for alloy design.
  • Findings contribute to the safe and efficient application of liquid metal alloys in energy technologies.