Search results for "structure and dynamics"

Gas-Phase Vibrational Spectroscopy of the Hydrocarbon Cations l-C3H+, HC3H+, and c-C3H2+: Structures, Isomers, and the Influence of Ne-Tagging

2019

We report the first gas-phase vibrational spectra of the hydrocarbon ions C3H+ and C3H2+. The ions were produced by electron impact ionization of allene. Vibrational spectra of the mass-selected ions tagged with Ne were recorded using infrared predissociation spectroscopy in a cryogenic ion trap instrument using the intense and widely tunable radiation of a free electron laser. Comparison of high-level quantum chemical calculations and resonant depletion measurements revealed that the C3H+ ion is exclusively formed in its most stable linear isomeric form, whereas two isomers were observed for C3H2+. Bands of the energetically favored cyclic c-C3H2+ are in excellent agreement with calculated…

Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale

2017

We image simultaneously the geometric, the electronic, and the magnetic structures of a buckled iron bilayer film that exhibits chiral magnetic order. We achieve this by combining spin-polarized scanning tunneling microscopy and magnetic exchange force microscopy (SPEX) to independently characterize the geometric as well as the electronic and magnetic structures of nonflat surfaces. This new SPEX imaging technique reveals the geometric height corrugation of the reconstruction lines resulting from strong strain relaxation in the bilayer, enabling the decomposition of the real-space from the electronic structure at the atomic level and the correlation with the resultant spin-spiral ground sta…

Dynamical properties of water in living cells

2018

With the aim of studying the effect of water dynamics on the properties of biological systems, in this paper, we present a quasi-elastic neutron scattering study on three different types of living cells, differing both in their morphological and tumor properties. The measured scattering signal, which essentially originates from hydrogen atoms present in the investigated systems, has been analyzed using a global fitting strategy using an optimized theoretical model that considers various classes of hydrogen atoms and allows disentangling diffusive and rotational motions. The approach has been carefully validated by checking the reliability of the calculation of parameters and their 99% confi…

Hydrological drivers of wetland vegetational biodiversity patterns within Everglades National Park, Florida

2009

The influence of hydrological dynamics on vegetational biodiversity and structuring of wetland environments is of growing interest as wetlands are modified by human alteration and the increasing threat from climate change. Hydrology has long been considered a driving force in shaping wetland communities as the frequency of inundation along with the duration and depth of flooding are key determinants of wetland structure. We attempt to link hydrological dynamics with vegetational distribution and species richness across Everglades National Park(ENP) using two publicly available datasets. The first, the Everglades Depth Estimation Network (EDEN),is a water-surface model which determines the m…

Johnson-Nyquist Noise Effects in Neutron Electric-Dipole-Moment Experiments

2021

Magnetic Johnson-Nyquist noise (JNN) originating from metal electrodes, used to create a static electric field in neutron electric-dipole-moment (nEDM) experiments, may limit the sensitivity of measurements. We present here the first dedicated study on JNN applied to a large-scale long-measurement-time experiment with the implementation of a co-magnetometry. In this study, we derive surface- and volume-averaged root-mean-square normal noise amplitudes at a certain frequency bandwidth for a cylindrical geometry. In addition, we model the source of noise as a finite number of current dipoles and demonstrate a method to simulate temporal and three-dimensional spatial dependencies of JNN. The c…

Water Dynamics in Biological Systems investigated using Neutron Scattering Techniques

Living systems can not survive in absence of the water environments which play a fundamental role in living functions. Thus in the scienti?c community many studies were and are addressed to characterize water and its dynamics properties in biological systems. However, a clear description of water in such systems has been not reached yet. In fact, the investigations performed with di?erent techniques - those based on Nuclear Magnetic Resonance or those based on Neutron Scattering - look at di?erent di?usive motions and interactions water-biomolecules, leading controversial results and hence generating many debates between scientists. In this thesis we support the idea that two water populati…

Structure and dynamics in liquid bismuth and Bin clusters: A density functional study

2014

Density functional/molecular dynamics simulations with more than 500 atoms have been performed on liquid bismuth at 573, 773, 923, and 1023 K and on neutral Bi clusters with up to 14 atoms. There are similar structural patterns (coordination numbers, bond angles, and ring patterns) in the liquid and the clusters, with significant differences from the rhombohedral crystalline form. We study the details of the structure (structure factor, pair, and cavity distribution functions) and dynamical properties (vibration frequencies, diffusion constants, power spectra), and compare with experimental results where available. While the three short covalent bonds typical to pnictogens are characteristi…