Dassault Systèmes (Japan)

The decay rate of $^{7}\mathrm{Be}$ electron capture in ${\mathrm{C}}_{70}$ and Be metal was measured employing a reference method. The half-life (${T}_{1/2}$) of $^{7}\mathrm{Be}$ endohedral ${\mathrm{C}}_{70}$ ($^{7}\mathrm{Be}$@${\mathrm{C}}_{70}$) was found to be ${T}_{1/2}=52.49\ifmmode\pm\else\textpm\fi{}0.04$ d at room temperature ($T=293$ K) and ${T}_{1/2}=52.42\ifmmode\pm\else\textpm\fi{}0.04$ d at liquid helium temperature ($T=5$ K). Furthermore, the ${T}_{1/2}$ of $^{7}\mathrm{Be}$ in Be metal was ${T}_{1/2}=53.25\ifmmode\pm\else\textpm\fi{}0.04$ d at room temperature ($T=293$ K) and ${T}_{1/2}=53.39\ifmmode\pm\else\textpm\fi{}0.03$ d at liquid helium temperature ($T=5$ K). These values for $^{7}\mathrm{Be}$@${\mathrm{C}}_{70}$ at $T=5$ K are approximately $1.6%(1.8%$) smaller than those for $^{7}\mathrm{Be}$ in Be metal at $T=293$ K ($T=5$ K), indicating the difference in the electron wave functions for $^{7}\mathrm{Be}$ inside ${\mathrm{C}}_{70}$ and $^{7}\mathrm{Be}$ in ${\mathrm{C}}_{60}$ and Be metal. The average charge transfer from the $L(2s)$ electrons of the $^{7}\mathrm{Be}$ atom influences such variations in the decay constant ($\ensuremath{\lambda}=ln2/{T}_{1/2}$) in the environment. The experimental and theoretical investigations revealed that the change in the EC-decay rate of $^{7}\mathrm{Be}$ could be largely related to the potential configurations and the environment inside ${\mathrm{C}}_{60}$ and/or ${\mathrm{C}}_{70}$ cages. The motion of $^{7}\mathrm{Be}$ inside cages was found to be restricted according to temperature.

Due to the rapid shift towards vehicles partially or fully powered by electricity (eMobility), Dassault Systèmes has developed an Industry Solution Experience to address new challenges of electrification and energy management.Our goal is to demonstrate how to apply the precepts of Model-Based Systems Engineering (MBSE) and to converge towards a virtual twin in a zero-prototype approach.

Ti–6 wt% Al–4 wt% V (Ti64) is an α + β titanium alloy, in which the alloying components strongly affect the mechanical properties. In this report, element partitioning effects in Ti64 are investigated by using the first-principles phase field (FPPF) method, which has recently been proposed by our group. In the FPPF method, the local free energy is calculated using a cluster expansion method in combination with density functional theory and the temperature effect is incorporated using potential renormalization theory. We have succeeded in identifying enrichment of Al (V) in the α (β) phase, i.e., the clear evidence for the element partitioning effects of Al and V, without using any thermodynamical parameter. The transformation of the β phase and the α phase in microstructure is investigated by varying the V and Al concentrations by a small amount. Our results are in excellent agreement with the recent experimental results, showing the validity of the FPPF method for ternary alloys.

Epoxy resins are composed of a three-dimensional network formed by chemical reactions between epoxy and amino compounds, which plays an important role in the mechanical properties. Thus, to use epoxy resins in various applications, it is necessary to gain a better understanding of their network structure. Here, we study the structural heterogeneity evolved in an epoxy–amine mixture during the curing process on the basis of a particle tracking technique, in which the thermal motion of probe particles in the mixture was tracked, small-angle X-ray scattering measurements in conjunction with coarse-grained molecular dynamics simulation. The heterogeneous environment was generated even at the initial stage of the curing process. Notably, the characteristic length scale was on the order of several hundreds of nanometers down to several tens of nanometers, depending on the extent of curing. Once a reaction occurs between a pair of epoxy and amino groups, the temperature at the site is locally elevated due to the heat of formation, accelerating a subsequent reaction nearby. Repeating such a situation, actively and scarcely reacted domains are formed. This is the main origin of the structural heterogeneity in epoxy resins.

Graphene nano structures find their application in modern nano electronics because of their excellent mechanical, unique electronics and electrical properties owing to the ballistic transport, where the charge carriers can move freely without getting scattered. In this work, we show a possibility to grow a miniaturised coil from a pre-existing graphene coil layer using molecular dynamics simulation. From our calculations it was observed that isolated carbon atoms get attached to the edge of the initial graphene coil and form an extension of the coil structure. The growth process depends strongly on the chirality of the growth front as well as the growth temperature. An optimal temperature between 2000 - 2300 K was proposed for all the edge structures except armchair (2500 K) type for the maximum number of the new hexagonal rings. Our results predict a technique that can be adopted experimentally to grow graphene nanocoil.