Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “DIFFUSION BARRIERS”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Characteristics of WN{sub x}C{sub y} films deposited using remote plasma atomic layer deposition with ({sup Me}Cp)W(CO){sub 2}(NO) for Cu diffusion barrier

Diffusion barrier characteristics of tungsten–nitride–carbide (WN{sub x}C{sub y}) thin films interposed between Cu and SiO{sub 2} layers were studied. The WN{sub x}C{sub y} films were deposited by remote plasma atomic layer deposition (RPALD) using a metal organic source, ({sup Me}Cp)W(CO){sub 2}(NO), and ammonia. Auger electron spectroscopy analysis indicated the WN{sub x}C{sub y} films consisted of tungsten, nitrogen, carbon, and oxygen. X-ray diffraction (XRD) analysis showed that the film deposited at 350 °C was nanocrystalline. The resistivity of WN{sub x}C{sub y} film deposited by RPALD was very low compared to that in previous research because of the lower nitrogen content and different crystal structures of the WN{sub x}C{sub y}. To verify the diffusion barrier characteristics of the WN{sub x}C{sub y} film, Cu films were deposited by physical vapor deposition after WN{sub x}C{sub y} film was formed by RPALD on Si substrate. The Cu/WN{sub x}C{sub y}/Si film stack was annealed in a vacuum by rapid thermal annealing at 500 °C. Cu diffusion through the barrier layer was verified by XRD. Stable film properties were observed up to 500 °C, confirming that WN{sub x}C{sub y} film is suitable as a Cu diffusion barrier in microelectronic circuits.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Vacancy diffusion barrier spectrum and diffusion correlation in multicomponent alloys

Vacancy diffusion serves a crucial role in many important kinetic behaviors and properties of multicomponent alloys. Essential questions, however, persist regarding how chemical complexity affects diffusion and what unique characteristics, if any, set these alloys apart from traditional metals. Using neural network kinetics model, we study vacancy diffusion in NbMoTa alloy across a broad temperature range (2600 to 800 K). Unlike pure metals, the two key diffusion parameters—diffusion correlation factor f and activation energy ΔG m —are not constant in alloys, but instead substantially decrease with decreasing temperature. This temperature dependence arises from a reduced number of active vacancy jump pathways at lower temperatures, leading to more correlated diffusion. Upon examining vacancy diffusion throughout the entire compositional space of the Nb-Mo-Ta system, we discover that the slowest vacancy diffusion surprisingly occurs in the non-equimolar region, rather than the equimolar concentration where the configurational entropy is highest. The diffusion barrier spectrum, characterizing the diffusion energy landscape, is an intrinsic material characteristic, which controls both f and ΔG m and, thereby, the diffusivity. Lastly, we find that the vacancy diffusion rate drops noticeably in the presence of local chemical order in the NbMoTa system, particularly for MoTa alloys with long-range B2 order.

Defects↗
DOE OSTI2015

First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is general for many other systems.

36 MATERIALS SCIENCE↗
DOE OSTI2016

First-principles study of transition-metal nitrides as diffusion barriers against Al

Using density-functional theory based first-principles calculations we provided a comparative study of the diffusion barrier properties of TiN, ZrN, and HfN against Al for U-Mo dispersion fuel applications. We firstly examined the thermodynamic stability of these transition-metal nitrides with Al. The calculated heats of reaction show that both TiN and ZrN are thermodynamically unstable diffusion barrier materials, which might be decomposed by Al at relatively high temperatures. As a comparison, HfN is a stable diffusion barrier material for Al. To evaluate the kinetic stability of these nitride systems against Al diffusion, we investigated the diffusion mechanisms of Al in TiN, ZrN and HfN using atomic scale simulations. The effect of non-stoichiometry on the defect formation and Al migration was systematically studied. (C) 2015 ELSEVIER B.V. All rights reserved

Diffusion barrier↗
DOE OSTI2019

Photovoltaic structures having multiple absorber layers separated by a diffusion barrier

Photovoltaic structures having multiple absorber layers separated by a diffusion barrier are provided. In one aspect, a method of forming an absorber on a substrate includes: depositing a first layer of light absorbing material on the substrate; depositing a diffusion barrier; depositing a second layer of light absorbing material on the diffusion barrier, wherein the first layer of light absorbing material has a different band gap from the second layer of light absorbing material; and annealing the absorber, wherein the diffusion barrier prevents diffusion of elements between the first layer of light absorbing material and the second layer of light absorbing material during the annealing. A solar cell and method for formation thereof are also provided.

Antunez, Priscilla D.↗
DOE OSTI2022

Photovoltaic structures having multiple absorber layers separated by a diffusion barrier

Photovoltaic structures having multiple absorber layers separated by a diffusion barrier are provided. In one aspect, a method of forming an absorber on a substrate includes: depositing a first layer of light absorbing material on the substrate; depositing a diffusion barrier; depositing a second layer of light absorbing material on the diffusion barrier, wherein the first layer of light absorbing material has a different band gap from the second layer of light absorbing material; and annealing the absorber, wherein the diffusion barrier prevents diffusion of elements between the first layer of light absorbing material and the second layer of light absorbing material during the annealing. A solar cell and method for formation thereof are also provided.

14 SOLAR ENERGY↗
DOE OSTI2016

Method for applying a diffusion barrier interlayer for high temperature components

A coated substrate and a method of forming a diffusion barrier coating system between a substrate and a MCrAl coating, including a diffusion barrier coating deposited onto at least a portion of a substrate surface, wherein the diffusion barrier coating comprises a nitride, oxide or carbide of one or more transition metals and/or metalloids and a MCrAl coating, wherein M includes a transition metal or a metalloid, deposited on at least a portion of the diffusion barrier coating, wherein the diffusion barrier coating restricts the inward diffusion of aluminum of the MCrAl coating into the substrate.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Unraveling Interdiffusion Phenomena and the Role of Nanoscale Diffusion Barriers in the Copper–Gold System

Diffusion is one of the most fundamental concepts in materials science, playing a pivotal role in materials synthesis, forming, and degradation. Of particular importance is solid state interdiffusion of metals which defines the usable parameter space for material combinations in the form of alloys. This parameter space can be explored on the macroscopic scale by using diffusion couples. However, this method reaches its limit when going to low temperatures, small scales, and when testing ultrathin diffusion barriers. Therefore, this work transfers the principle of the diffusion couples to small scales by using core–shell nanowires and in situ heating. This allows us to delve into the interdiffusion dynamics of copper and gold, revealing the interplay between diffusion and the disorder–order phase transition. Our in situ TEM experiments in combination with chemical mapping reveal the interdiffusion coefficients of Cu and Au at low temperatures and highlight the impact of ordering processes on the diffusion behavior. The formation of ordered domains within the solid-solution is examined using high-resolution imaging and nanodiffraction including strain mapping. In addition, we examine the effectiveness of ultrathin Al 2 O 3 barrier layers to control interdiffusion of the diffusion couple. Our findings indicate that a 5 nm thick layer serves as an efficient diffusion barrier. Furthermore, this research provides valuable insights into the interdiffusion behavior of Cu and Au on the nanoscale, offering potential applications in the development of miniaturized integrated circuits and nanodevices.

alloys↗
DOE OSTI2019

Highly Effective GeNi Alloy Contact Diffusion Barrier for BiSbTe Long-Term Thermal Exposure

A GeNi alloy diffusion barrier for contacts on bismuth antimony telluride is proposed. Multiple gold contact diffusion barriers were tested at different thermal aging conditions in air and reducing atmospheres. Among all diffusion barriers, the GeNi alloy barrier shows the best performance for bulk samples with no substantial degradation of the contact resistance, no contact color change, and no change of thermoelectric properties. We observed D Au–GeNi = (9.8 ± 2.7) × 10 –20 m 2 /s within the GeNi alloy barrier, which is 4 times smaller than D Au–BiSbTe . The presence of the initial Ge layer also proves to be effective in reducing nickel diffusion yielding D Ni–BiSbTe = (8.57 ± 0.49) × 10 –19 m 2 /s. During GeNi alloy formation, Ge diffusion into BiSbTe produces GeTe, which apparently blocks the van der Waals gaps eliminating Au and Ni fast diffusion pathways. Thermal aging of BiSbTe nanowires shows that Au and Ni diffusion degrades the thermoelectric power factor, whereas the GeNi alloy barrier sample is mostly preserved. The GeNi alloy barrier is a reliable solution to long-term thermal applications of BiTe-based materials.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Fabrication of fine-grain tantalum diffusion barrier tube for Nb{sub 3}Sn conductors

Diffusion barriers used in Nb{sub 3}Sn wire are often fabricated by wrapping Ta sheet into a tube with an overlap seam. A common result of such practice is non-uniform deformation in the Ta sheet as it thins by wire drawing because of non-uniform grain size and texture in the original Ta sheet. Seamless Ta tube with a fine-grain and uniform microstructure would be much better for the diffusion barrier application, but such material is expensive and difficult to manufacture. This report presents results on a new fabrication strategy for Ta tube that shows promise for manufacture of less costly tube with an improved microstructure. The fabrication method begins with seam-welded tube but gives a fine-grain uniform microstructure with little difference between the longitudinal seam weld region and the parent metal after post-weld processing. Severe plastic deformation processing (SPD) applied by area reduction extrusion and tube equal channel angular extrusion (tECAE) are used to refine and homogenize the microstructure. Microstructure and mechanical property results are presented for Ta tubes fabricated by this new processing strategy.

36 MATERIALS SCIENCE↗
NASA NTRS1999

Diffusion Barriers to Increase the Oxidative Life of Overlay Coatings

Currently, most blades and vanes in the hottest section of aero gas turbine engines require some type of coating for oxidation protection. Newly developed single crystal superalloys have the mechanical potential to operate at increasingly higher component temperatures. However, at these elevated temperatures, coating/substrate interdiffusion can shorten the protective life of the coating. Diffusion barriers between overlay coatings and substrates are being examined to extend the protective life of the coating. A previously- developed finite-difference diffusion model has been modified to predict the oxidative life enhancement due to use of a diffusion barrier. The original diffusion model, designated COSIM, simulates Al diffusion in the coating to the growing oxide scale as well as Al diffusion into the substrate. The COSIM model incorporates an oxide growth and spalling model to provide the rate of Al consumption during cyclic oxidation. Coating failure is predicted when the Al concentration at the coating surface drops to a defined critical level. The modified COSIM model predicts the oxidative life of an overlay coating when a diffusion barrier is present eliminating diffusion of Al from the coating into the substrate. Both the original and the modified diffusion models have been used to predict the effectiveness of a diffusion barrier in extending the protective life of a NiCrAl overlay coating undergoing cyclic oxidation at 1100 C.

Nesbitt, James A.↗