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At least 55 records · Page 3

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.↗

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.↗

An XPS study of silicon/noble metal interfaces - Bonding trends and correlations with the Schottky barrier heights

This X-ray photoemission (XPS) study demonstrates a correlation of intrinsic TM-Si chemical bond formation with Schottky barrier heights for the near-noble transition metals (TM = Ni, Pd, Pt) and their corresponding silicides (TM2Si and TMSi) on Si(100). It is found that the barrier height correlates with the strength of the TM-Si orbital interaction as well as with the charge density around the Si atom. These observations suggest a dominant role for intrinsic chemical interactions in establishing the Schottky barrier heights in these TM-Si systems.

Grunthaner, P. J.↗

Ceramic susceptor for induction bonding of metals, ceramics, and plastics

A thin (.005) flexible ceramic susceptor (carbon) was discovered. It was developed to join ceramics, plastics, metals, and combinations of these materials using a unique induction heating process. Bonding times for laboratory specimens comparing state of the art technology to induction bonding were cut by a factor of 10 to 100 times. This novel type of carbon susceptor allows for applying heat directly and only to the bondline without heating the entire structure, supports, and fixtures of a bonding assembly. The ceramic (carbon film) susceptor produces molten adhesive or matrix material at the bond interface. This molten material flows through the perforated susceptor producing a fusion between the two parts to be joined, which in many instances has proven to be stronger than the parent material. Bonding can be accomplished in 2 minutes on areas submitted to the inductive heating. Because a carbon susceptor is used in bonding carbon fiber reinforced plastics and ceramics, there is no radar signature or return making it an ideal process for joining advanced aerospace composite structures.

Fox, Robert L.↗

Finite element applications to explore the effects of partial bonding on metal matrix composite properties

The mechanics of materials approach (definition of E, G, Nu, and Alpha) and the finite element method are used to explore the effects of partial bonding and fiber fracture on the behavior of high temperature metal matrix composites. Composite ply properties are calculated for various degrees of disbonding to evaluate the sensitivity of these properties to the presence of fiber/matrix disbonding and fiber fracture. The mechanics of materials approach allows for the determination of the basic ply material properties needed for design/analysis of composites. The finite element method provides the necessary structural response (forces and displacements) for the mechanics of materials equations. Results show that disbonding of fractured fibers affect only E sub (111) and alpha sub (111) significantly.

Caruso, J. J.↗

Finite element applications to explore the effects of partial bonding on metal matrix composite properties

The mechanics of materials approach (definition of E, G, nu, and alpha) and the finite element method are used to explore the effects of partial bonding and fiber fracture on the behavior of high temperature metal matrix composites. Composite ply properties are calculated for various degrees of disbonding to evaluate the sensitivity of these properties to the presence of fiber/matrix disbonding and fiber fracture. The mechanics of materials approach allows for the determination of the basic ply material properties needed for design/analysis of composites. The finite element method provides the necessary structural response (forces and displacements) for the mechanics of materials equations. Results show that disbonding of fractured fibers affect only E-l(11) and alpha-l(11) significantly.

Caruso, J. J.↗

Thermal barrier coating system having improved adhesion

The adherence between a ceramic thermal barrier coating and a metal bond coating is improved by ion sputtering a ceramic film on the bond cost. A ceramic thermal barrier coating is then plasma-sprayed onto this primer film. This improves the integrity and strength of the interface between the plasma-sprayed ceramic layer and metallic bond coat which insures stronger adherence between the metal and the ceramic.

Bill, R. C.↗

Explosive bonding of metal-matrix composites

Explosive bonding process produces sheet composites of aluminum alloy reinforced by high-strength stainless steel wires. The bonds are excellent metallurgically, no external heat is required, various metals can be bonded, and the process is inexpensive.

Reece, O. Y.↗

Effects of Carbonyl Bond and Metal Cluster Dissociation and Evaporation Rates on Predictions of Nanotube Production in HiPco

The high-pressure carbon monoxide (HiPco) process for producing single-wall carbon nanotubes (SWNT) uses iron pentacarbonyl as the source of iron for catalyzing the Boudouard reaction. Attempts using nickel tetracarbonyl led to no production of SWNTs. This paper discusses simulations at a constant condition of 1300 K and 30 atm in which the chemical rate equations are solved for different reaction schemes. A lumped cluster model is developed to limit the number of species in the models, yet it includes fairly large clusters. Reaction rate coefficients in these schemes are based on bond energies of iron and nickel species and on estimates of chemical rates for formation of SWNTs. SWNT growth is measured by the co-formation of CO2. It is shown that the production of CO2 is significantly greater for FeCO due to its lower bond energy as compared with that ofNiCO. It is also shown that the dissociation and evaporation rates of atoms from small metal clusters have a significant effect on CO2 production. A high rate of evaporation leads to a smaller number of metal clusters available to catalyze the Boudouard reaction. This suggests that if CO reacts with metal clusters and removes atoms from them by forming MeCO, this has the effect of enhancing the evaporation rate and reducing SWNT production. The study also investigates some other reactions in the model that have a less dramatic influence.

Scott, Carl D.↗

Iridium Interfacial Stack - IrIS

Iridium Interfacial Stack (IrIS) is the sputter deposition of high-purity tantalum silicide (TaSi2-400 nm)/platinum (Pt-200 nm)/iridium (Ir-200 nm)/platinum (Pt-200 nm) in an ultra-high vacuum system followed by a 600 C anneal in nitrogen for 30 minutes. IrIS simultaneously acts as both a bond metal and a diffusion barrier. This bondable metallization that also acts as a diffusion barrier can prevent oxygen from air and gold from the wire-bond from infiltrating silicon carbide (SiC) monolithically integrated circuits (ICs) operating above 500 C in air for over 1,000 hours. This TaSi2/Pt/Ir/Pt metallization is easily bonded for electrical connection to off-chip circuitry and does not require extra anneals or masking steps. There are two ways that IrIS can be used in SiC ICs for applications above 500 C: it can be put directly on a SiC ohmic contact metal, such as Ti, or be used as a bond metal residing on top of an interconnect metal. For simplicity, only the use as a bond metal is discussed. The layer thickness ratio of TaSi2 to the first Pt layer deposited thereon should be 2:1. This will allow Si from the TaSi2 to react with the Pt to form Pt2Si during the 600 C anneal carried out after all layers have been deposited. The Ir layer does not readily form a silicide at 600 C, and thereby prevents the Si from migrating into the top-most Pt layer during future anneals and high-temperature IC operation. The second (i.e., top-most) deposited Pt layer needs to be about 200 nm to enable easy wire bonding. The thickness of 200 nm for Ir was chosen for initial experiments; further optimization of the Ir layer thickness may be possible via further experimentation. Ir itself is not easily wire-bonded because of its hardness and much higher melting point than Pt. Below the iridium layer, the TaSi2 and Pt react and form desired Pt2Si during the post-deposition anneal while above the iridium layer remains pure Pt as desired to facilitate easy and strong wire-bonding to the SiC chip circuitry.

Spry, David↗

Acoustic emission analysis: A test method for metal joints bonded by adhesives

Acoustic emission analysis is applied to study adhesive joints which had been subjected to mechanical and climatic stresses, taking into account conditions which make results applicable to adhesive joints used in aerospace technology. Specimens consisting of the alloy AlMgSi0.5 were used together with a phenolic resin adhesive, an epoxy resin modified with a polyamide, and an epoxy resin modified with a nitrile. Results show that the acoustic emission analysis provides valuable information concerning the behavior of adhesive joints under load and climatic stresses.

Brockmann, W.↗