シンプルな構造から発せられた負の熱膨張:立方ScF ((3))
Benjamin K Greve1, Kenneth L Martin, Peter L Lee
1School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332, USA.
Journal of the American Chemical Society
|October 21, 2010
まとめ
スカンジウムトリフッ化物は,低温で有意な負の熱膨張を示す. この研究は,立方体ReO ((3) 構造の固体構造ユニットの熱誘発振動のメカニズムを実験的に確認し,そのユニークな熱特性を説明しています.
科学分野:
- マテリアルサイエンス 材料科学
- 固体化学 固体化学
- クリスタログラフィーです.
背景:
- スカンジウムトリフッ化物 (ScF3) は立方体ReO(3) 型構造を有する.
- 負の熱膨張 (NTE) は,特定の材料で観察される現象で,加熱すると収縮する.
- ReO(3) 構造は,理論的には"固体ユニットモード"メカニズムを通じてNTEとリンクされています.
研究 の 目的:
- 低温でのスカンジウムトリフッ化物の構造的および熱膨張特性を調査する.
- ScF3.3における負の熱膨張のための提案されたメカニズムを実験的に検証する.
- 温度と圧力の変動条件下でのScF3の相変化行動を特徴づけるために.
主な方法:
- 変数温度と圧力のX線 difraktion研究.
- 熱膨張係数を測定するための膨張計測定.
- 構造変化と段階移行の分析.
主要な成果:
- スカンジウムトリフッ化物は,10Kまで立方体ReO(3) 構造を保持する.
- 強い負の熱膨張 (α(l) ≈ -14 ppm K(-1)) は60-110 Kの間で観察されました.
- キュービックからロンボエドルの相移行圧力は温度に依存し,低温で著しく低下します.
- 室温CTEはZrW(2)O(8) と比較され,1100K以上で正熱膨張が認められる.
結論:
- スカンジウムトリフッ化物は,負の熱膨張のための硬いユニットモードメカニズムの明確な実験的実証を提供します.
- NTEと調節可能な相変化を含むユニークな熱的振る舞いにより,さらなる研究のための重要な材料となっています.
- この発見は,ReO ((3) 構造の材料におけるNTE現象の理解に貢献する.
関連する概念動画
Thermal Expansion
The expansion of alcohol in a thermometer is one of many commonly encountered examples of thermal expansion, which is the change in size or volume of a given system as its temperature changes. The most visible example is the expansion of hot air. When air is heated, it expands and becomes less dense than the surrounding air, which then exerts an upward force on the hot air to, for example, make steam and smoke rise, and hot air balloons float. The same behavior happens in all liquids and gases,...
Ionic Crystal Structures
Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Hybridization of Atomic Orbitals I
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
VSEPR Theory and the Basic Shapes
Overview of VSEPR Theory
Heat and Free Expansion
The work done by a thermodynamic system depends not only on the initial and final states but also on the intermediate states—that is, on the path. Like work, when heat is added to a thermodynamic system, it undergoes a change of state, and the state attained depends on the path from the initial state to the final state. Consider an ideal gas cylinder fitted with a piston. When the cylinder is heated at a constant temperature, the gas molecules absorb energy and expand slowly in a controlled...
Third Law of Thermodynamics
A pure, perfectly crystalline solid possessing no kinetic energy (that is, at a temperature of absolute zero, 0 K) may be described by a single microstate, as its purity, perfect crystallinity,and complete lack of motion means there is but one possible location for each identical atom or molecule comprising the crystal (W = 1). According to the Boltzmann equation, the entropy of this system is zero.


