Quasiclassical trajectory calculations of collisional energy transfer in propane systems: multiple direct-encounter hard-sphere model

Quasiclassical trajectory calculations of collisional energy transfer from highly vibrationally excited propane + rare gas systems are reported. This work extends our hard-sphere model (A. Linhananta and K. F. Lim, Phys. Chem. Chem. Phys., 2000, 2, 1385) to examine the variation of the internal energy during collisions with a rare bath gas. This was accomplished by recording the vibrational and rotational energy of propane after each atom–atom encounter during trajectory simulations of propane + rare gas systems. This provides detailed information of the energy flow during a collision. It was found that collisions with small number of encounters transfer energy efficiently, whereas those with many encounters do not. Detailed analyses reveal that the former collisions arise from trajectories with high initial impact parameter, whereas the latter have small initial impact parameter. The reason behind this is the dependence of collision energy transfer (CET) of large polyatomic molecules on their shape. This is connected to the well-known role of rotational energy transfer (RET) as a gateway for CET.

Modeling and simulation of collisions of heavy trucks with concrete barriers

On-site collision tests of full-scale concrete barriers are an important method to understand what happens to concrete barriers when vehicles collide with them. However, such tests require both time and money, so modeling and simulation of collisions by computer have been developed as an alternative in this research. First, spring subgrade models were developed to formulate the ground boundary of concrete barriers based on previous experiments. Then, the finite element method models were developed for both heavy trucks and concrete barriers to simulate their dynamic collision performances. Comparison of the results generated from computer simulations and on-site experiments demonstrates that the developed models can be applied to simulate the collision of heavy trucks with concrete barriers, to replicate the movement of the truck at the collision, and to investigate the performance of the concrete barriers. The developed research methodology can be widely used to support the design of new concrete barriers and the safety analysis of existing ones.

Dynamic simulation of collisions of heavy high-speed trucks with concrete barriers

Real vehicle collision experiments on full-scale road safety barriers are important to determine the outcome of a vehicle versus barrier impact accident. However, such experiments require large investment of time and money. Numerical simulation has therefore been imperative as an alternative method for testing concrete barriers. In this research, spring subgrade models were first developed to simulate the ground boundary of concrete barriers. Both heavy trucks and concrete barriers were modeled using finite element methods (FEM) to simulate dynamic collision performances. Comparison of the results generated from computer simulations and on-site full-scale experiments demonstrated that the developed models could be applied to simulate the collision of heavy trucks with concrete barriers to provide the data to design new road safety barriers and analyze existing ones.

Structural characterization of rare intramolecularly (1,4-Te· · ·N) bonded diorganotellurides and their monomeric complexes with mercury(II) halides: metal assisted C-H· · ·X (Hg) interactions leading to supramolecular architecture

Monomeric tellurides 4-RC₆H₄(SB)Te [SB = 2-(4,4'-N0₂C₆H₄CH=NC₆H₃-Me); R = H, 1a; Me,1b; OMe, 1c], which incidentally represent the first example of a telluride with 1,4-Te···N intramolecular interaction, have been prepared and characterized by solution and solid-state ¹²⁵Te NMR, ¹³C NMR and X-ray crystallography. Interplay of weak C-H···O and C-H-··π{ interactions in the crystal lattice of 1b and1c are responsible for the formation of supramolecular motifs. These tellurides undergo expected oxidative addition reactions with halogens and interhalogens and also interact coordinatively with mercury(II) halides to give 1:2 complexes, HgX₂[4-RC₆H₄(SB)Te]₂ (X = CI, R = H, 2a; Me, 2b; OMe, 2c and X = Br, R = H, 3a; Me, 3b; and OMe, 3c) with no sign of Te-C bond cleavage, as has been reported for some 1,5-Te·· ·N(O) intramolecularly bonded tellurides. The complexes 2a and 3c are the first structurally characterized monomeric 1:2 adducts of mercury(II) halides with Te ligands. The 1,4-Te···N intramolecular interactions in the solid-state are retained in the complexes highlighting simultaneously the Lewis acid and base character of the Te(lI) atom. Packing of molecules in the crystal lattice of 2a
and 3c reveals that non-covalent C-H· . ·Cl/Br interactions involving metal-bound halogen atoms possess significant directionality and in
combination with coordinative covalent interactions may be of potential use in creating inorganic supramolecular synthons.

The origin of "Rare Earth" texture development in extruded Mg-based alloys and its effect on tensile ductility

The extrusion behaviour, texture and tensile ductility of five binary Mg-based alloys have been examined and compared to pure Mg. The five alloying additions examined were Al, Sn, Ca, La and Gd. When these alloys are compared at equivalent grain size, the La- and Gd-containing alloys show the best ductilities. This has been attributed to a weaker extrusion texture. These two alloying additions, La and Gd, were found to also produce a new texture peak with View the MathML source parallel to the extrusion direction. This “rare earth texture” component was found to be suppressed at high extrusion temperatures. It is proposed that the View the MathML source texture component arises from oriented nucleation at shear bands.

Effect of microalloying with rare-earth elements on the texture of extruded magnesium-based alloys

A series of alloys have been produced with microalloying additions of rare-earth (RE) elements in the range of 0.1–0.4 wt.%. The alloys have been extruded to produce grain sizes of 23 ± 5 μm. The texture of the extruded alloys was measured, and it was found that the extrusion texture was weakened by the addition of RE elements. The samples with weakened extrusion textures exhibited an increase in the tensile elongation.

Are day-active small mammals rare and small birds abundant in Australian desert environments because small mammals are inferior thermoregulators?

Small desert birds are typically diurnal and highly mobile (hence conspicuous) whereas small non-volant mammals are generally nocturnal and less mobile (hence inconspicuous). Birds are more mobile than terrestrial mammals on a local and geographic scale, and most desert birds are not endemic but simply move to avoid the extremes of desert conditions. Many small desert mammals are relatively sedentary and regularly use physiological adjustments to cope with their desert environment (e.g., aestivation or hibernation). It seems likely that prey activity patterns and reduced conspicuousness to predators have reinforced nocturnality in small desert mammals. Differences such as nocturnality and mobility simply reflect differing life-history traits of birds and mammals rather than being a direct result of their differences in physiological capacity for tolerating daytime desert conditions.