A vectorial algorithm with finite element method for prediction of powder segregation in metal injection molding

The design of the mold and the choice of the injection parameters for metal injection molding (MIM) is required to maintain homogeneity of the filled mixture. However, powder segregation is unavoidable in MIM because of the significant difference in densities of the metallic powder and the polymer binder. To achieve an effective prediction of segregation effect, a biphasic model based on mixture theory is employed. The viscous behaviors of each phase and the interaction coefficient between the flows of the two phases should be determined. The solution of two coupled Navier–Stokes equations results in a tremendous computation effort. The previous development of an explicit algorithm makes the biphasic simulation much faster than that of the classic methods. However, it is strongly desired to reduce or even eliminate the numerous global solutions for pressure fields at each time step. Hence, a new vectorial algorithm is proposed and developed to perform the simulation only by vectorial operations. It provides the anticipated efficiency in the simulation of biphasic modeling, and the advantage to use the classic elements of equal‐order interpolations. Some results produced by the two algorithms are compared with the experimental values to validate the new vectorial algorithm. Copyright © 2012 John Wiley & Sons, Ltd.     

Formal Verification of Numerical Programs: From C Annotated Programs to Mechanical Proofs

Numerical programs may require a high level of guarantee. This can be achieved by applying formal methods, such as machine-checked proofs. But these tools handle mathematical theorems while we are interested in C code, in which numerical computations are performed using floating-point arithmetic, whereas proof tools typically handle exact real arithmetic. To achieve this high level of confidence on C programs, we use a chain of tools: Frama-C, its Jessie plugin, Why and provers among Coq, Gappa, Alt-Ergo, CVC3 and Z3. This approach requires the C program to be annotated: each function must be precisely specified, and we prove the correctness of the program by proving both that it meets its specifications and that no runtime error may occur. The purpose of this paper is to illustrate, on various examples, the features of this approach.     

Static SIMS study on surfaces of chalcogenide glasses modified by an organic layer

Chalcogenide glasses are useful optic materials that find applications in infrared spectroscopy, sensors and thermal imaging. A route for direct surface modification of such glasses with organic layers has been investigated by static Time of Flight Secondary Ion Mass Spectrometry (ToF-SIMS). The GAS (germanium–arsenic–selenium) glasses are modified by deposition followed by UV-irradiation of disulfide- or/and silane-functionalized organic molecules. SIMS analysis shows the characteristic fragments of the grafted molecules and organic–inorganic fragments which prove unambiguously the binding mode to the surface: disulfides, after S–S cleavage, are linked to arsenic and selenium; triethoxysilanes bind exclusively to oxidized germanium. The successive grafting of disulfide and silane compounds on the same substrate (IG2 glass with 33% of Ge) affords a “mixed” organic layer on the glass surface. From water contact angle measurements and X-ray Photo-electron Spectroscopy (XPS), the coverage density is not significantly improved comparatively to the “non-mixed” layers. However, the grafting of both types of molecules allows to reach a more homogeneous coverage.     

Binding and Ionophoric Properties of Polyamide Compounds. Lead Selectivity

The extraction and transport properties of macrocyclic dioxa-, dithia- and diazatetralactams are reported along with those of open-chain analogous compounds. The preference of three of them for lead over alkali, alkaline-earth or other heavy metal cations is discussed.     

Efficient Synthesis of New 2H‐Chromene Retinoids Hybrid Derivatives by Suzuki Cross‐coupling Reactions

In an attempt to improve anticancer activity, a series of retinoids–chromene hybrids was described. The novel heterocyclic chromene–retinoids hybrid including oxygen as a heteroatom in a six‐membered cyclic ring (2H‐chromene or 2H‐1‐benzopyran) was designed and synthesized by introducing different groups such as an aromatic or styrylphenyl ring in 6‐position of 2H‐chromene. These novel compounds were synthesized by using the efficient cascades one‐pot process involving Wittig–Horner–Emmons reaction and Suzuki–Miyaura cross‐coupling pallado‐catalyzed reactions with 60% to 90% overall yields. These new compounds were tested against glioblastoma multiforme brain cancer, medulloblastoma, neuroblastoma cell lines, and breast cancer MCF‐7 cell lines. Two of them exhibited an appreciable anti‐tumor activity in the low micromolar range, which opens new perspectives for therapeutic application on humans.