Structural origin of light emission in germanium quantum dots.

We used a combination of optically-detected x-ray absorption spectroscopy with molecular dynamics simulations to explore the origins of light emission in small (5 nm to 9 nm) Ge nanoparticles. Two sets of nanoparticles were studied, with oxygen and hydrogen terminated surfaces. We show that optically-detected x-ray absorption spectroscopy shows sufficient sensitivity to reveal the different origins of light emission in these two sets of samples. We found that in oxygen terminated nanoparticles its the oxide-rich regions that are responsible for the light emission. In hydrogen terminated nanoparticles we established that structurally disordered Ge regions contribute to the luminescence. Using a combination of molecular dynamics simulations and optically-detected x-ray absorption spectroscopy we show that these disordered regions correspond to the disordered layer a few Šthick at the surface of the simulated nanoparticle.

Dynamic transition of supercritical hydrogen: defining the boundary between interior and atmosphere in gas giants.

Understanding the physics of gas giants requires knowledge about the behavior of hydrogen at extreme pressures and temperatures. Molecular hydrogen in these planets is supercritical, and has been considered as a physically homogeneous state where no differences can be made between a liquid and a gas and where all properties undergo no marked or distinct changes with pressure and temperature, the picture believed to hold below the dissociation and metallization transition. Here, we show that in Jupiter and Saturn, supercritical molecular hydrogen undergoes a dynamic transition around 10 GPa and 3000 K from the "rigid" liquid state to the "nonrigid" gas-like fluid state at the Frenkel line recently proposed, with the accompanying qualitative changes of all major physical properties. The consequences of this finding are discussed, including a physically justified way to demarcate the interior and the atmosphere in gas giants.

The phonon theory of liquid thermodynamics.

Heat capacity of matter is considered to be its most important property because it holds information about system's degrees of freedom as well as the regime in which the system operates, classical or quantum. Heat capacity is well understood in gases and solids but not in the third main state of matter, liquids, and is not discussed in physics textbooks as a result. The perceived difficulty is that interactions in a liquid are both strong and system-specific, implying that the energy strongly depends on the liquid type and that, therefore, liquid energy can not be calculated in general form. Here, we develop a phonon theory of liquids where this problem is avoided. The theory covers both classical and quantum regimes. We demonstrate good agreement of calculated and experimental heat capacity of 21 liquids, including noble, metallic, molecular and hydrogen-bonded network liquids in a wide range of temperature and pressure.