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At least 55 records · Page 3

Metallic Adhesion and Bonding

Although metallic adhesion has played a central part in much tribological speculation, few quantitative theoretical calculations are available. This is in part because of the difficulties involved in such calculations and in part because the theoretical physics community is not particularly involved with tribology. The calculations currently involved in metallic adhesion are summarized and shown that these can be generalized into a scaled universal relationship. Relationships exist to other types of covalent bonding, such as cohesive, chemisorptive, and molecular bonding. A simple relationship between surface energy and cohesive energy is offered.

Ferrante, J.↗

Flash Communication: Boron K-edge XAS and TDDFT Studies of Covalent Metal–Ligand Bonding in Ni(C 2 B 9 H 11 ) 2

Ligand K-edge X-ray absorption spectroscopy (XAS), a technique that can measure variations in covalent metal–ligand bonding, has rarely been used to assess covalency in complexes containing metal–boron bonds. Here we describe ligand K-edge XAS and TDDFT studies of the Ni dicarbollide complex Ni(C 2 B 9 H 11 ) 2 (1) and the Ni-free salt (HNMe 3 )(C 2 B 9 H 12 ) (L1). The XAS spectrum for 1 reveals a pre-edge feature indicative of covalent Ni–B bonding, which is corroborated by time-dependent density functional theory (TDDFT) calculations and comparative analysis to L1 and inner-shell electron energy loss spectroscopy (ISEELS) collected on the same Ni complex.

Boron↗

Inorganic bonding of semiconductor strain gages

Inorganic bonding materials minimize outgassing and improve electrical and mechanical properties of semiconductor strain-gage transducers in high-vacuum and high-temperature operations. The two basic methods described are ceramic-glass-bonding and metallic bond formation between the strain gage and the substrate.

Woodruff, N. L.↗

Ion-beam etching enhances adhesive bonding

Metals and fluoropolymers exposed to 0.5 to 1.0 keV argon ions at current densities of 0.2 to 1.5 mA/sq cm develop surface texturing that increases tensile and shear strength of epoxy bonds. Bonds are 46 to 100 percent stronger than those of chemically etched surfaces. Metals require 3 to 4 hours of bombardment to become properly textured. Fluoropolymers require 5 seconds to 30 minutes. Ion beam will not texture nickel. Unlike chemical treatments, bonding of fluoropolymers can be done days or months after ion treatment.

Banks, B. A.↗

Rapid Adhesive Bonding for Metals and Composites

Toroidal induction heater is key element in rapid bonding technique. Rapid adhesive bonding equipment features toroid induction heater for quick bonding of composites and metals. Process avoids damaging composites that cannot withstand high temperatures for long time intervals. Process scaled up for production. Technique suited to bonding of end tabs onto material test specimens.

Stein, B. A.↗

The metal-carbonyl bond in Ni(CO)4 and Fe(CO)5 - A clear-cut analysis

A detailed analysis of the metal-carbonyl bonding in Ni(CO)4 and Fe(CO)5, based on the newly developed contained space orbital variation (CSOV) method, is carried out to investigate various contributing factors to the interaction. Three aspects about the metal-CO interaction are presented: (1) the frozen orbital repulsion between the metal 4s and the CO is large; (2) the metal to CO pi donation is energetically much more important than the CO to the metal sigma donation; and (3) the metal 4s and 4p orbitals make a very small contribution (smaller than 0.4 eV) to the interaction energy; the largest portion of this contribution arises from the CO to metal sigma donation.

Bauschlicher, C. W., Jr.↗

Cs X Si 15 P 21 ( X = Sn or Pb): Polar Noncentrosymmetric Si–P Frameworks Stabilized by Covalent X –P Bonding

Metal silicon phosphides composed of earth-abundant Si and P tend to exhibit semiconducting properties and adopt diverse crystal structures with relatively small additions of structure-directing elements. The potential of silicon phosphide materials in nonlinear optical applications has been hindered by the inability to systematically produce noncentrosymmetric structures with such a flexible framework. Here, in this work, two isostructural compounds with a novel noncentrosymmetric structure were made possible by the inclusion of elements with stereochemically active lone pairs (Sn 2+ and Pb 2+ ). The structures were determined through single-crystal and synchrotron powder X-ray diffraction. Analysis of chemical bonding in real space through the electron localization function revealed stereochemically active Pb 2+ and Sn 2+ species in a trigonal pyramidal coordination with {Pb/Sn}–P bonds. Such covalent bonding between Pb and P is quite uncommon in extended solids and has been reported in a few rare instances. Band structure calculations and linear optical measurements confirm the semiconducting nature of Cs X Si 15 P 21 ( X = Sn or Pb). The synthesis was optimized to yield high-purity polycrystalline samples. The nonlinear optical properties show promising second-harmonic generation (SHG) coefficients from the Kurtz–Perry method. First-principles calculations of the nonlinear optical properties support the experimentally determined SHG values and provide moderate values of birefringence, suggesting Cs X Si 15 P 21 could be phase-matchable and practical nonlinear optical materials in the mid-IR region.

crystal structure↗

Isolation of Ce( IV ) centered polyoxoalkoxide sandwich-type complexes allows comparison of metal–oxygen bond covalency

The new Ce III centered sandwich-type complex (TBA) 3 [Ce{W 4 O 13 (OMe) 4 MoNO} 2 ] is reported. The redox properties of this molecule, and its all-molybdenum analogue, (TBA) 3 [Ce{Mo 5 O 13 (OMe) 4 NO} 2 ], were investigated using cyclic voltammetry. The data reveals the presence of reversible Ce IV /Ce III redox couples at modest potentials. One electron oxidation of the complexes provides facile access to the corresponding Ce IV derivatives, which were fully characterized. 17 O NMR spectroscopy reveals that the chemical shifts of the oxygen nuclei directly bound to Ce IV are much higher than the corresponding signals in isostructural, diamagnetic, Zr IV , Hf IV , or Th IV centered complexes. Density functional theory (DFT) calculations indicate that the increase in chemical shift correlates with an increase in the covalency of the M IV –O bonds, illustrating that 17 O NMR spectroscopy is a powerful experimental tool for interrogating the nature of metal oxygen bonding in diamagnetic complexes.

Shiels, Dominic [Univ. of Rochester, NY (United St↗

The Calculation of Accurate Metal-Ligand Bond Energies

The optimization of the geometry and calculation of zero-point energies are carried out at the B3LYP level of theory. The bond energies are determined at this level, as well as at the CCSD(T) level using very large basis sets. The successive OH bond energies to the first row transition metal cations are reported. For most systems there has been an experimental determination of the first OH. In general, the CCSD(T) values are in good agreement with experiment. The bonding changes from mostly covalent for the early metals to mostly electrostatic for the late transition metal systems.

Bauschlicher, Charles W.↗

Ultrasonic Bonding to Metalized Plastic

New technique makes it possible to bond wires ultrasonically to conductor patterns on such soft substrates as plain or ceramic-filled polytetrafluoroethylene. With ultrasonic bonding, unpackaged chips attached to soft circuit boards. Preferred because chips require substrate area and better matched electrically to circuit board at high frequencies.

Conroy, B. L.↗

Theoretical determination of the alkali-metal superoxide bond energies

The bond dissociation energies for the alkali-metal superoxides have been computed using extensive Gaussian basis sets and treating electron correlation at the modified coupled-pair functional level. Our computed D0 values are 61.4, 37.2, 40.6, and 38.4 kcal/mol for LiO2, NaO2, KO2, and RbO2, respectively. These values, which are expected to be lower bounds and accurate to 2 kcal/mol, agree well with some of the older flame data, but rule out several recent experimental measurements.

Partridge, Harry↗

Process for bonding elastomers to metals

A process for bonding elastomeric material to a metal part includes coating a heat curable adhesive on the surfaces of the metal part to be bonded. The metal part is placed in a mold, a bottom plate and an upper transfer pot of a transfer molding machine is preheated to a predetermined cure temperature. A predetermined quantity of uncured elastomeric material is loaded into the transfer pot. The mold containing the adhesive coated metal part is clamped to the bottom plate, and almost contemporaneously, the uncured elastomeric material is pressed into the mold while maintaining heat and pressure in the mold for a time sufficient to vulcanize and thereby cure the elastomeric material simultaneously with the adhesive, whereby contacting surfaces of the metal part are strongly bonded to the vulcanized elastomeric material.

Dickerson, George E.↗

Transition metal-ligand bonding. II

The nature of the bonding of CO, H2O, and NH3 to transition metal atoms is analyzed using the constrained-space-orbital-variation (CSOV) technique. The cooperative effects for Ni(CO)2 are found to be different than those for Ni(H2O)2. The bonding between neutral systems and the positive ions is found to be quite different; NiCO(+) has little pi bonding, while NiCO has strong pi bonding. The positive ion of NiH2O is far more strongly bound than the neutral, while for NiCO the positive ion and neutral are bound by about the same energy.

Bauschlicher, C. W., Jr.↗

Micro-structural features and material properties impact on adhesive metal joints via computational modeling and machine learning

The quality of structural bonding in practical applications depends on various factors arising from materials, pre-processing conditions, and manufacturing. Understanding how these factors influence bonding performance and determining their relative importance are of significant interest. Thus, this study evaluates the effects of microstructural features and material properties on the structural strength of adhesively-bonded metal joints at the submillimeter scale, utilizing a combination of Finite Element Modeling (FEM) and Machine Learning (ML) with Gradient Boosting Regression (GBR). The microstructural features include adhesive thickness, internal voids within the adhesive, adherend-adhesive interfacial voids, void size and volume fraction, and surface roughness. The material properties include the constitutive behavior of the adhesive, as well as the adherend-adhesive interfacial strength and fracture energy. The changes in structural strength and morphologies of the bonded metal structures with respect to different microstructural features and material properties were clarified by FEM. By further leveraging ML-GBR, the sequence of importance of these factors affecting bonding performance across various scenarios was summarized. This work provides valuable insights into the development of improved structural bonding for adhesive joints in industries such as automotive , aerospace, and beyond.

36 MATERIALS SCIENCE↗

Fracture Control Requirements for Composite and Bonded Vehicle and Payload Structures

The document presents a minimum set of fracture control requirements to be used across MSFC programs in designing and assessing composite and bonded structures. The scope includes manned launch, retrieval, transfer, and landing vehicles, space habitats, and payloads or experiments that are launched, retrieved, stored, or operated during any portion of a manned spaceflight mission. It is applicable to in-house and contract activities. The requirements apply to fiber reinforced polymer matrix composites, sandwich construction (bonded metallic and nonmetallic), and bonds between metallic or composite parts fall within the scope of this document.

McGill, Preston↗

Elastomers bonded to metal surfaces seal electrochemical cells

A leakproof seal secondary cell containing alkaline electrolytes was developed by bonding an alkali-resistant elastomer, such as neoprene, to metal contact surfaces. Test results of several different elastomers strongly indicate the feasibility of this sealing method.

Sherfey, J. M.↗