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At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Tritium adsorption and absorption on (100) and (001) surfaces of pure and tin defective zirconium

Zirconium alloys such as zircaloy-4 are used as tritium (T) getter materials in tritium-producing burnable absorber rods (TPBARs) due to their ability to capture T, thereby forming metal hydrides. Developing an understanding of T adsorption onto zircaloy prior to diffusion into the subsurface is relevant for rational tritium getter and TPBAR design, to improve material properties for nuclear applications. Herein, density functional theory calculations revealed the preferred binding sites for T adsorption on Zr(001) and Zr(100). The energy barriers of T transfer, along the surface and from the surface to the subsurface were computed. The adsorption properties of Zr(001) were found to be superior to those of Zr(100). Surface tin impurities were found to strongly repel T. The presence of subsurface and surface tin resulted in higher absorption energy barriers for both the forward and reverse processes. Based on the calculated energy barriers, a surface to surface T diffusion coefficient of 9.53 × 10 -10 m 2 s -1 is expected for pristine Zr(001). Finally, a surface to subsurface T diffusion coefficient on the order of 10 -13 m 2 s -1 is predicted in pristine Zr, decreasing to 10 -19 m 2 s -1 for the transfer with a subsurface tin impurity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

RBS and PIXE analysis of chlorine contamination in ALD-Grown TiN films on silicon

The performance, strengths and limitations of RBS and PIXE for the characterization of trace amounts of Cl in TiN thin films are critically compared. The chlorine atomic concentration in ALD grown TiN thin films on Si is determined for samples grown at temperatures ranging from 350 Degree-Sign C to 550 Degree-Sign C. We show that routine Rutherford backscattering spectrometry measurements (1.5 MeV He{sup +}) and PIXE measurements (1.5 MeV H{sup +}) on 20 nm thick TiN films allow one to determine the Cl content down to 0.3 at% with an absolute statistical accuracy reaching 0.03 at%. Possible improvements to push the sensitivity limit for both approaches are proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2015

High thermal stability Sb{sub 3}Te-TiN{sub 2} material for phase change memory application

For phase change memory (PCM) applications, it has been widely accepted that δ phase Sb-Te has fast operation speed and good phase stability. However, the fast growth crystallization mechanism will cause poor amorphous phase stability and overlarge grain size. We introduce TiN{sub 2} into δ phase Sb-Te (Sb{sub 3}Te) to enhance the amorphous thermal stability and refine the grain size. With TiN{sub 2} incorporating, the temperature for 10-year data retention increases from 79 °C to 124 °C. And the grain size decreases to dozens of nanometers scale. Based on X-ray photoelectron spectroscopy and transmission electron microscopy results, we knew that nitrogen atoms bond with titanium, forming disorder region at the grain boundary of Sb{sub 3}Te-TiN{sub 2} (STTN). Thus, STTN has a quite different crystallization mechanism from Sb{sub 3}Te. Furthermore, PCM device based on STTN can realize reversible phase change under 20 ns electrical pulse.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Comparison of gate dielectric plasma damage from plasma-enhanced atomic layer deposited and magnetron sputtered TiN metal gates

Fully depleted silicon-on-insulator transistors were fabricated using two different metal gate deposition mechanisms to compare plasma damage effects on gate oxide quality. Devices fabricated with both plasma-enhanced atomic-layer-deposited (PE-ALD) TiN gates and magnetron plasma sputtered TiN gates showed very good electrostatics and short-channel characteristics. However, the gate oxide quality was markedly better for PE-ALD TiN. A significant reduction in interface state density was inferred from capacitance-voltage measurements as well as a 1200× reduction in gate leakage current. A high-power magnetron plasma source produces a much higher energetic ion and vacuum ultra-violet (VUV) photon flux to the wafer compared to a low-power inductively coupled PE-ALD source. The ion and VUV photons produce defect states in the bulk of the gate oxide as well as at the oxide-silicon interface, causing higher leakage and potential reliability degradation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of gas ratio on tribological properties of sputter deposited TiN coatings

Titanium nitride (TiN) coatings were deposited on Si, corning glass, pins of mild steel (MS, ϕ3mm), aluminium (Al, ϕ4mm) and brass (ϕ6mm) substratesby DC magnetron sputtering. The argon and nitrogen (Ar:N{sub 2})gas ratio was precisely controlled by Mass Flow Controller (MFC) and was varied systematically at diffract values of 10:10,12:08, 16:04 and 18:02sccm. The structural properties of TiN coatings were characterized by X-ray diffraction (XRD) and its surface topography was studied using field emission scanning electron microscopy (FE-SEM). The tribological properties of TiN coatings were investigated using pin-on-disc tribometer.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Epitaxial NbN/AlN/NbN tunnel junctions on Si substrates with TiN buffer layers

We have developed epitaxial NbN/AlN/NbN tunnel junctions on Si (100) substrates with a TiN buffer layer. A 50-nm-thick (200)-oriented TiN thin film was introduced as the buffer layer for epitaxial growth of NbN/AlN/NbN trilayers on Si substrates. The fabricated NbN/AlN/NbN junctions demonstrated excellent tunneling properties with a high gap voltage of 5.5 mV, a large I{sub c}R{sub N} product of 3.8 mV, a sharp quasiparticle current rise with a ΔV{sub g} of 0.4 mV, and a small subgap leakage current. The junction quality factor R{sub sg}/R{sub N} was about 23 for the junction with a J{sub c} of 47 A/cm{sup 2} and was about 6 for the junction with a J{sub c} of 3.0 kA/cm{sup 2}. X-ray diffraction and transmission electron microscopy observations showed that the NbN/AlN/NbN trilayers were grown epitaxially on the (200)-orientated TiN buffer layer and had a highly crystalline structure with the (200) orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Calibration and validation of the foundation for a multiphase strength model for tin

In this work, the Common Model of Multi-phase Strength and Equation of State (CMMP) model was applied to tin. Specifically, calibrations of the strength-specific elements of the CMMP foundation were developed with a combination of experiments and theory, and then the model was validated experimentally. The first element of the foundation is a multi-phase analytic treatment of the melt temperature and the shear modulus for the solid phases. These models were parameterized for each phase based on ab initio calculations using the software VASP (Vienna Ab initio Simulations Package) based on density functional theory. The shear modulus model for the ambient phase was validated with ultrasonic sound speed measurements as a function of pressure and temperature. The second element of the foundation is a viscoplastic strength model for the phase, upon which strength for inaccessible higher-pressure phases can be scaled as necessary. The stress–strain response of tin was measured at strain rates of 10 -3 to 3 x 10 3 s -1 and temperatures ranging from 87 to 373 K. The Preston–Tonks–Wallace (PTW) strength model was fit to that data using Bayesian model calibration. For validation, six forward and two reverse Taylor impact experiments were performed at different velocities to measure large plastic deformation of tin at strain rates up to ⁠10 5 s -1 . The PTW model accurately predicted the deformed shapes of the cylinders, with modest discrepancies attributed to the inability of PTW to capture the effects of twinning and dynamic recrystallization. Some material in the simulations of higher velocity Taylor cylinders reached the melting temperature, thus testing the multiphase model because of the presence of a second phase, the liquid. In simulations using a traditional modeling approach, the abrupt reduction of strength upon melt resulted in poor predictions of the deformed shape and non-physical temperatures. With CMMP, the most deformed material points evolved gradually to a mixed solid–liquid but never a fully liquid state, never fully lost strength, stayed at the melt temperature as the latent heat of fusion was absorbed, and predicted the deformed shape well.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Interactions of laser-driven tin ejecta microjets over phase transition boundaries

Ejecta microjets offer an experimental methodology to study high-speed particle laden-flow interactions, as microjets consist of millions of particulates traveling at velocities of several kilometers per second and are easily generated by most common shock drives. Previous experiments on the OMEGA Extended Performance laser found that collisions between two counter-propagating laser-driven tin ejecta microjets varied as a function of drive pressure; jets generated near shock pressures of 10 GPa passed through each other without interacting, whereas jets generated at shock pressures of over 100 GPa interacted strongly, forming a cloud around the center interaction point. In this paper, we present a more systematic scan of tin ejecta microjet collisions over intermediate pressure regimes to identify how and at what shock pressure interaction behavior onsets. Radiographs of interacting microjets at five different laser drive energies qualitatively demonstrate that interaction behavior onsets slowly as a function of laser drive energy. Quantitative mass and density metrics from each radiograph provide trends on jet characteristics and collisional mass dispersion. It is observed that jetting mass, jet densities, and mass dispersion increase with increasing drive pressures and that the increased jet density at the higher drive energies may account for the increased mass dispersion. This work provides an important step in the understanding of tin ejecta microjet collisions and paves the way for future studies on the physics dominating high-speed particle-laden flow interactions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Multi-diagnostic characterization of laser-produced tin plasmas for EUV lithography

We present a comprehensive characterization of laser-produced tin (Sn) plasmas relevant to extreme ultraviolet (EUV) lithography using a multi-diagnostic suite integrated into the new experimental platform, “SparkLight.” Tin plasmas are generated by irradiating a continuously moving tin-coated wire with laser pulses (1064 nm, 10 ns, up to 5.7 × 10 10 W/cm 2 ) and probed via coherent Thomson scattering, laser interferometry, and EUV emission spectroscopy. Thomson scattering measurements reveal electron temperatures and densities that decay with distance from the target. Densities derived from Thomson scattering are cross-validated against laser interferometry, showing excellent agreement. Correlating the results of these laser diagnostics with spatially resolved EUV spectroscopy suggests that the bulk of useful EUV emission originates within 150 μm of the target and is generated under suboptimal plasma conditions. This work demonstrates a practical integrated approach for plasma characterization in EUV source development.

Musikhin, S. [Princeton Plasma Physics Laboratory ↗
DOE OSTI2021

Multiply-excited states and their contribution to opacity in CO 2 laser-driven tin-plasma conditions

A recent study (2020 Nat. Commun. 11 2334) has found that transitions between multiply-excited configurations in open 4d-subshell tin ions are the dominant contributors to intense EUV emission from dense, Nd:YAG-driven (laser wavelength λ = 1.064 μm) tin plasmas. In the present study, we employ the Los Alamos Atomic code to investigate the spectral contribution from these transitions under industrially-relevant, CO 2 laser-driven (λ = 10.6 μm) tin plasma conditions. First, we employ Busquet's ionisation temperature method to match the average charge state < Z > of a non-local-thermodynamic equilibrium (non-LTE) plasma with an LTE one. This is done by varying the temperature of the LTE calculations until a so-called ionisation temperature T Z is established. Importantly, this approach generates LTE-computed configuration populations in excellent agreement with the non-LTE populations. A corollary of this observation is that the non-LTE populations are well-described by Boltzmann-type exponential distributions having effective temperatures T eff ≈ T Z . In the second part of this work, we perform extensive level-resolved LTE opacity calculations at T Z . It is found that 66% of the opacity in the industrially-relevant 2% bandwidth centred at 13.5 nm arises from transitions between multiply-excited states. These results reinforce the need for the consideration of complex, multiply-excited states in modelling the radiative properties of laser-driven plasma sources of EUV light.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Superconductivity Behavior in Epitaxial TiN Films Points to Surface Magnetic Disorder

In this work we analyze the evolution of the normal and superconducting properties of epitaxial TiN films, characterized by high Ioffe-Regel parameter values, as a function of the film thickness. As the film thickness decreases, we observe an increase of the residual resistivity, that becomes dominated by diffusive surface scattering for d ≤ 20 nm . At the same time, a substantial thickness-dependent reduction of the superconducting critical temperature is observed compared to the bulk TiN value. In such high-quality material films, this effect can be explained by a weak magnetic disorder residing in the surface layer with a characteristic magnetic defect density of approximately 10 12 cm –2 . Our results suggest that surface magnetic disorder is generally present in oxidized TiN films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Structural and dynamic properties of liquid tin from a new modified embedded-atom method force field

We developed a new modified embedded-atom method (MEAM) force field for liquid tin. Starting from the Ravelo and Baskes force field [Phys. Rev. Lett. 79, 2482 (1997)], the parameters are adjusted using a simulated annealing optimization procedure in order to obtain better agreement with liquid-phase data. The predictive capabilities of the new model and the Ravelo and Baskes force field are evaluated using molecular dynamics by comparing to a wide range of first-principles and experimental data. The quantities studied include crystal properties (cohesive energy, bulk modulus, equilibrium density, and lattice constant of various crystal structures), melting temperature, liquid structure, liquid density, self-diffusivity, viscosity, and vapor-liquid surface tension. We show that although the Ravelo and Baskes force field generally gives better agreement with the properties related to the solid phases of tin, the new MEAM force field gives better agreement with liquid tin properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Vanishing dynamic strength measured in a transient high-pressure phase of tin

This work reports two independent experimental estimations of the dynamic strength of the body-centered tetragonal (bct) 𝛾 phase of tin, which occurs at pressures above about 9 GPa and transforms promptly back to the ambient 𝛽 phase upon pressure release. Measuring strength in such a transient high-pressure phase is challenging. One measurement used free-surface Richtmyer-Meshkov instabilities generated with gas gun impact. Another set of measurements used ramp-release loading in a pulsed-power facility. Strength estimations came from comparison to simulations using a comprehensive multiphase modeling framework that includes equation of state, shear moduli, and strength separately for each phase, and treats mixed-phase regions. Both experimental methods found the 𝛾-phase strength to be very low, within experimental uncertainty of zero. The existing literature on other materials, by contrast, almost universally reports higher strength in transient high-pressure phases compared with ambient phases. Recent Molecular-Dynamics simulations on tin in the literature showed almost zero deviatoric strength during a deformation-induced bct → bct transformation in which one of the 𝛾-phase 𝑎 axes “flips” to the 𝑐 axis. This reorientation currently provides the most plausible explanation for the low observed strength in 𝛾-phase tin.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Selective etching of TiN over TaN and vice versa in chlorine-containing plasmas

Selectivity of etching between physical vapor-deposited TiN and TaN was studied in chlorine-containing plasmas, under isotropic etching conditions. Etching rates for blanket films were measured in-situ using optical emission of the N{sub 2} (C{sup 3}{Pi}{sub u}{yields}B{sup 3}{Pi}{sub g}) bandhead at 337 nm to determine the etching time, and transmission electron microscopy to determine the starting film thickness. The etching selectivity in Cl{sub 2}/He or HCl/He plasmas was poor (<2:1). There was a window of very high selectivity of etching TiN over TaN by adding small amounts (<1%) of O{sub 2} in the Cl{sub 2}/He plasma. Reverse selectivity (10:1 of TaN etching over TiN) was observed when adding small amounts of O{sub 2} to the HCl/He plasma. Results are explained on the basis of the volatility of plausible reaction products.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Colored hard coatings with AlN–TiN multilayer structures

AlN–TiN multilayer structures can be used to extend the color gamut of hard coatings while maintaining good hardness and corrosion resistance. This study used reactive magnetron sputtering on a glass substrate to produce coatings with a microhardness of 19 GPa as well as optical reflectance exceeding 80% and controllable saturation (chroma) for various hues of red, yellow, green, blue, and purple. The authors characterized the complex index of refraction of the TiN films using ellipsometry; the real refractive indices of the AlN films were derived from the reflectance values obtained using photometry. Finally, the colors of the samples were quantified using CIE-1931 chromaticity coordinates in the L*a*b* color space, and the microhardness of the films was measured using a nanoindenter. Simulation results using a multiple-beam-interference recursive method presented good consistency with experimental measurements with regard to the optical reflective spectra of AlN–TiN multilayer thin film samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electrical properties of TiN on gallium nitride grown using different deposition conditions and annealing

This study evaluates the thermal stability of different refractory metal nitrides used as Schottky electrodes on GaN. The results demonstrate that TiN, MoSiN, and MoN possess good rectification and adhesion strength, with barrier heights of 0.56, 0.54, and 0.36 eV, respectively. After thermal treatment at 850 °C for 1 min, the TiN and MoN electrodes still exhibit rectifying characteristics, while the MoSiN degrades to an ohmic-like contact. For further study, several TiN films are deposited using different N{sub 2}/Ar reactive/inert sputtering gas ratios, thereby varying the nitrogen content present in the sputtering gas. Ohmic-like contact is observed with the pure Ti contact film, and Schottky characteristics are observed with the samples possessing nitrogen in the film. The average Schottky barrier height is about 0.5 eV and remains virtually constant with varying nitrogen deposition content. After examining Raman spectra and x-ray photoelectron spectroscopy results, the increase in the film resistivity after thermal treatment is attributed to oxidation and/or nitridation. Films deposited with a medium (40% and 60%) nitrogen content show the best film quality and thermal stability.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Cathodic cage plasma deposition of TiN and TiO{sub 2} thin films on silicon substrates

Cathodic cage plasma deposition (CCPD) was used for growing titanium nitride (TiN) and titanium dioxide (TiO{sub 2}) thin films on silicon substrates. The main advantages of the CCPD technique are the uniformity, tridimensionality, and high rate of the film deposition that occurs at higher pressures, lower temperatures, and lower treatment times than those used in conventional nitriding treatments. In this work, the influence of the temperature and gas atmosphere upon the characteristics of the deposited films was investigated. The TiN and TiO{sub 2} thin films were characterized by x-ray diffraction, scanning electron microscopy, and Raman spectroscopy to analyze their chemical, structural, and morphological characteristics, and the combination of these results indicates that the low-cost CCPD technique can be used to produce even and highly crystalline TiN and TiO{sub 2} films.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Evaluation of Novel Tin Materials for the Removal of Technetium from Groundwater

Technetium-99 ( 99 Tc) is present at several U.S. Department of Energy (DOE) facilities, including the Hanford, Oak Ridge, Paducah, Portsmouth, and Savannah River sites. Due to its mobility, persistence, and toxicity in the environment, developing means to immobilize and/or remove technetium from the environment is currently a top priority for DOE. However, there are currently very few approaches that effectively manage the risks of technetium to human health and the environment. The objective of this study is to evaluate novel synthetic materials that could enable direct removal of technetium from groundwater. The following report •assesses the viability of existing methodologies for synthesis of tin (II) apatite for in situ formation and remediation of 99 Tc within the subsurface environment •discusses the development of alternative methodologies for production of tin (II) apatite •evaluates nanoporous tin phosphate materials for removal of technetium from groundwater.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗