Error estimation on extracorporeal trajectory determination from body scans.

This study explores the magnitude of two sources of error that are introduced when extracorporeal bullet trajectories are based on post-mortem computed tomography (PMCT) and/or surface scanning of a body. The first source of error is caused by an altered gravitational pull on soft tissue, which is introduced when a body is scanned in another position than it had when hit. The second source of error is introduced when scanned images are translated into a virtual representation of the victim's body. To study the combined magnitude of these errors, virtual shooting trajectories with known vertical angles through five "victims" (live test persons) were simulated. The positions of the simulated wounds on the bodies were marked, with the victims in upright positions. Next, the victims were scanned in supine position, using 3D surface scanning, similar to a body's position when scanned during a PMCT. Seven experts, used to working with 3D data, were asked to determine the bullet trajectories based on the virtual representations of the bodies. The errors between the known and determined trajectories were analysed and discussed. The results of this study give a feel for the magnitude of the introduced errors and can be used to reconstruct actual shooting incidents using PMCT data.

The temperature and size distribution of large water clusters from a non-equilibrium model.

A hybrid Lagrangian-Eulerian approach is used to examine the properties of water clusters formed in neon-water vapor mixtures expanding through microscale conical nozzles. Experimental size distributions were reliably determined by the sodium doping technique in a molecular beam machine. The comparison of computed size distributions and experimental data shows satisfactory agreement, especially for (H2O)n clusters with n larger than 50. Thus validated simulations provide size selected cluster temperature profiles in and outside the nozzle. This information is used for an in-depth analysis of the crystallization and water cluster aggregation dynamics of recently reported supersonic jet expansion experiments.

On the nature and signatures of the solvated electron in water.

The hydrated electron is one of the simplest chemical transients and has been the subject of intense investigation and speculation since its discovery in 1962 by Hart and Boag. Although extensive kinetic and spectroscopic research on this species has been reported for many decades, its structure, i.e., the dominant electron-water binding motif, and its binding energy remained uncertain. A recent milestone in the research on the hydrated electron was the determination of its binding energy by liquid-jet photoelectron spectroscopy. It turned out that the assumption of a single electron binding motif in liquid water is an oversimplification. In addition to different isomers in cluster spectroscopy and different transient species of unknown structure in ultrafast experiments, long-lived hydrated electrons near the surface of liquid water have recently been discovered. The present article gives an account of recent work on the topic "solvated electrons" from the perspectives of cluster spectroscopy, condensed-phase spectroscopy, as well as theory. It highlights and critically discusses recent findings and their implications for our understanding of electron solvation in aqueous environments.

Sodium salts in E-ring ice grains from an ocean below the surface of Enceladus.

Saturn's moon Enceladus emits plumes of water vapour and ice particles from fractures near its south pole, suggesting the possibility of a subsurface ocean. These plume particles are the dominant source of Saturn's E ring. A previous in situ analysis of these particles concluded that the minor organic or siliceous components, identified in many ice grains, could be evidence for interaction between Enceladus' rocky core and liquid water. It was not clear, however, whether the liquid is still present today or whether it has frozen. Here we report the identification of a population of E-ring grains that are rich in sodium salts ( approximately 0.5-2% by mass), which can arise only if the plumes originate from liquid water. The abundance of various salt components in these particles, as well as the inferred basic pH, exhibit a compelling similarity to the predicted composition of a subsurface Enceladus ocean in contact with its rock core. The plume vapour is expected to be free of atomic sodium. Thus, the absence of sodium from optical spectra is in good agreement with our results. In the E ring the upper limit for spectroscopy is insufficiently sensitive to detect the concentrations we found.

Isomeric transitions in size-selected methanol hexamers probed by OH-stretch spectroscopy.

We have measured the isomeric transition between the energetically lowest lying isomers of S6 and C2-symmetry of (CH3OH)6. The clusters are size-selected by deflection in collisions with He, and the isomers are identified by their infrared spectra of the OH-stretching vibration. The measurements are carried out at three source temperatures 253, 300 and 373 K which correspond to the cluster temperatures 93, 106 and 135 K. The latter ones are estimated by a relaxation model that accounts for the cluster formation and the energy released by the condensation. The transition takes place at a cluster temperature of about 102 K which is in agreement with the Molecular Dynamics simulation of such a transition at about 117 K using a realistic model potential.

Ionization potentials of large sodium doped ammonia clusters.

In a continuous neat supersonic expansion ammonia clusters are generated and doped with sodium atoms in a pickup cell. Thus clusters of the form Na(NH(3))(n) are produced that are photoionized by a tunable dye laser system. The ions are mass analyzed in a reflectron time-of-flight mass spectrometer, and the wavelength dependent ion signals serve for the determination of the ionization potentials (IP) of the different clusters in the size range 10< or =n< or =1500. Aside from a plateau for 10< or =n< or =17 and smaller steps at n=24, 35, and 59 on the average a continuous decrease of the IP with cluster size is observed. The IPs in this size range are linear with (n+1)(-13) and extrapolate to IP(n=infinity)=1.66+/-0.01 eV. The slope is consistent with a dielectric continuum model of the solvated electron and the dielectric constant of the solid. The extrapolated IPs are compared with results obtained for negative ammonia cluster ions and metallic solutions in liquid ammonia. Differences are explained by the presence of counterions and their various distances from the solvated electron.

Photodissociation and caging of HBr and HI molecules on the surface of large rare gas clusters.

Photodissociation experiments were carried out at a wavelength of 243 nm for single HBr and HI molecules adsorbed on the surface of large Nen, Arn, Krn and Xen clusters. The average size is about = 130; the size ranges = 62-139 for the system HBr-Arn and = 110-830 for HI-Xen were covered. In this way the dependence of the photodissociation dynamics on both the size and the rare gas host cluster was investigated. The main observable is the kinetic energy distribution of the outgoing H atoms. The key results are that we do not find any size dependence for either system but that we observe a strong dependence on the rare gas clusters. All systems exhibit H atoms with no energy loss that indicate direct cage exit and those with nearly zero energy that are an indication of complete caging. The intensity ratio of caged to uncaged H atoms is largest for Nen, decreases with increasing mass of the cage atoms, and is weakest for Xen. On the basis of accompanying calculations this behaviour is attributed to the large amplitude motion of the light H atom. This leads to direct cage exit and penetration of the atom through the cluster with different energy transfer per collision depending on the rare gas atoms. The differences between HBr and HI molecules are attributed to different surface states, a flat and an encapsulated site.