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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.

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At least 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Vacancy structures and melting behavior in rock-salt GeSbTe

Ge-Sb-Te alloys have been widely used in optical/electrical memory storage. Because of the extremely fast crystalline-amorphous transition, they are also expected to play a vital role in next generation nonvolatile microelectronic memory devices. However, the distribution and structural properties of vacancies have been one of the key issues in determining the speed of melting (or amorphization), phase-stability, and heat-dissipation of rock-salt GeSbTe, which is crucial for its technological breakthrough in memory devices. Using spherical aberration-aberration corrected scanning transmission electron microscopy and atomic scale energy-dispersive X-ray mapping, we observe a new rock-salt structure with high-degree vacancy ordering (or layered-like ordering) at an elevated temperature, which is a result of phase transition from the rock-salt phase with randomly distributed vacancies. First-principles calculations reveal that the phase transition is an energetically favored process. Furthermore, molecular dynamics studies suggest that the melting of the cubic rock-salt phases is initiated at the vacancies, which propagate to nearby regions. The observation of multi-rock-salt phases suggests another route for multi-level data storage using GeSbTe.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Dislocation-pipe diffusion in nitride superlattices observed in direct atomic resolution

Device failure from diffusion short circuits in microelectronic components occurs via thermally induced migration of atoms along high-diffusivity paths: dislocations, grain boundaries, and free surfaces. Even well-annealed single-grain metallic films contain dislocation densities of about 10 14 m -2 ; hence dislocation-pipe diffusion (DPD) becomes a major contribution at working temperatures. While its theoretical concept was established already in the 1950s and its contribution is commonly measured using indirect tracer, spectroscopy, or electrical methods, no direct observation of DPD at the atomic level has been reported. We present atomically-resolved electron microscopy images of the onset and progression of diffusion along threading dislocations in sequentially annealed nitride metal/semiconductor superlattices, and show that this type of diffusion can be independent of concentration gradients in the system but governed by the reduction of strain fields in the lattice.

42 ENGINEERING↗
DOE OSTI2015

Two-dimensional boron–nitrogen–carbon monolayers with tunable direct band gaps

The search for new candidate semiconductors with direct band gaps of ~1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. In this work, we systematically studied 2D B x /2 N x /2 C 1– x (0 < x < 1) compounds in particular focus on the four stoichiometric B x /2 N x /2 C 1– x ( x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer B x /2 N x /2 C 1– x stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of B x /2 N x /2 C 1– x phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p–n junction photovoltaic modules. The present results also show that the band gaps of B x /2 N x /2 C 1– x can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Zero-dimensional to three-dimensional nanojoining: current status and potential applications

We report that the continuing miniaturization of microelectronics is pushing advanced manufacturing into nanomanufacturing. Nanojoining is a bottom-up assembly technique that enables functional nanodevice fabrication with dissimilar nanoscopic building blocks and/or molecular components. Various conventional joining techniques have been modified and re-invented for joining nanomaterials. Our review surveys recent progress in nanojoining methods, as compared to conventional joining processes. Examples of nanojoining are given and classified by the dimensionality of the joining materials. At each classification, nanojoining is reviewed and discussed according to materials specialties, low dimensional processing features, energy input mechanisms and potential applications. The preparation of new intermetallic materials by reactive nanoscale multilayer foils based on self-propagating high-temperature synthesis is highlighted. This review will provide insight into nanojoining fundamentals and innovative applications in power electronics packaging, plasmonic devices, nanosoldering for printable electronics, 3D printing and space manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Silicon compatible Sn-based resistive switching memory

Large banks of cheap, fast, non-volatile, energy efficient, scalable solid-state memories are an increasingly essential component for today's data intensive computing. Conductive-bridge random access memory (CBRAM) – which involves voltage driven formation and dissolution of Cu or Ag filaments in a Cu (or Ag) anode/dielectric (HfO 2 or Al 2 O 3 )/inert cathode device – possesses the necessary attributes to fit the requirements. Cu and Ag are, however, fast diffusers and known contaminants in silicon microelectronics. In this paper, employing a criterion for electrode metal selection applicable to cationic filamentary devices and using first principles calculations for estimating diffusion barriers in HfO 2 , we identify tin (Sn) as a rational, silicon CMOS compatible replacement for Cu and Ag anodes in CBRAM devices. We then experimentally fabricate Sn based CBRAM devices and demonstrate very fast, steep-slope memory switching as well as threshold switching, comparable to Cu or Ag based devices. Furthermore, time evolution of the cationic filament formation along with the switching mechanism is discussed based on time domain measurements (I vs. t) carried out under constant voltage stress. Finally, the time to threshold is shown to be a function of both the voltage stress (V stress ) as well as the initial leakage current (I 0 ) through the device.

42 ENGINEERING↗
DOE OSTI2021

Epitaxial nanotwinned metals and alloys: synthesis-twin structure–property relations

Extensive studies have been performed to understand the structure–property relationship in nanotwinned (NT) metals, where the average twin thickness or twin spacing is less than 100 nm. NT metals may have high strength, ductility, good electrical conductivity and corrosion resistance and have promising applications in microelectronics, structural materials and coatings for gas and oil industry. Most prior studies focus on the computational and experimental investigations of NT metals with low stacking fault energy (SFE) and often in polycrystalline forms. In this highlight, we review recent findings on epitaxial growth of NT metals and alloys with low and high SFEs deposited on single crystal substrates, and focus primarily on advancing our comprehension towards tailoring the microstructures and properties of NT metals via extrinsic factors, including the synthesis technique, parametric control and growth template, and intrinsic factors, such as SFE and thermodynamic, kinetic alloying effects. The review intends to illuminate how to synthesize and design epitaxial NT structures to achieve desirable properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High- χ diblock copolymers containing poly(vinylpyridine- N -oxide) segments

Block copolymers exhibiting an enhanced segregation strength due to an underlying high Flory–Huggins interaction parameter (high χ) have attracted considerable attention because of their potential of forming microphase-separated domains with very small feature sizes (<10 nm) useful for next-generation lithography. Here, we report the synthesis, characterization, and self-assembly of poly(styrene)- block -poly(2-vinylpyridine N -oxide) (PS- b -P2VPNO) and poly(styrene)- block -poly(4-vinylpyridine N -oxide) (PS- b -P4VPNO) block copolymers. These PS- b -PVPNOs were obtained from the oxidation of their precursors, poly(styrene)- block -poly(2-vinylpyridine) (PS- b -P2VP) and poly(styrene)- block -poly(4-vinylpyridine) (PS- b -P4VP), respectively. The PS- b -PVPNOs exhibit an enhanced segregation as revealed by ordered cylindrical and lamellar structures in the sub-10 nm scale from copolymers with relatively low molecular weight. The morphologies and periodicities of the ordered structures were determined by small-angle X-ray scattering, while atomic-force microscopy was used to image the self-assembly in thin films. Estimates of the changes in disorder–order transition temperature and domain spacing are derived from a theory based on the effects of dipolar interactions. All the experimentally observed morphological changes resulting from the oxidation of P2VP and P4VP precursors can be qualitatively explained in terms of an increased dipole moment of vinylpyridine N -oxide segments. Therefore, our results demonstrate that PVPNO based block copolymers are versatile candidates toward nanopatterned structures with small feature sizes critical for the future microelectronics industry and beyond.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Assessment of wafer scale MoS 2 atomic layers grown by metal–organic chemical vapor deposition using organo-metal, organo-sulfide, and H 2 S precursors

Transition Metal Dichalcogenides (TMDs) are a unique class of materials that exhibit attractive electrical and optical properties which have generated significant interest for applications in microelectronics, optoelectronics, energy storage, and sensing. Considering the potential of these materials to impact such applications, it is crucial to develop a reliable and scalable synthesis process that is compatible with modern industrial manufacturing methods. Metal–organic chemical vapor deposition (MOCVD) offers an ideal solution to produce TMDs, due to its compatibility with large-scale production, precise layer control, and high material purity. Optimization of MOCVD protocols is necessary for effective TMD synthesis and integration into mainstream technologies. Additionally, improvements in metrology are necessary to measure the quality of the fabricated samples more accurately. In this work, we study MOCVD of wafer-scale molybdenum disulfide (MoS 2 ) utilizing two common chalcogen precursors, H 2 S and DTBS. We then develop a metrology platform for wafer scale samples quality assessment. For this, the coalesced films were characterized using Raman spectroscopy, atomic force microscopy, transmission electron microscopy, X-ray photoelectron spectroscopy, and Kelvin probe force microscopy. We then correlate the structural analysis of these grown films with electrical performance by using aerosol jet printing to fabricate van der Pauw test structures and assess sheet resistance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Importance of cross reaction covariance data for user applications

The characterization of the uncertainty in radiation damage metrics presents many challenges. This paper examines the current approaches to characterizing radiation damage metrics such as hydrogen and helium gas production, material heating, trapped charge in microelectronics, and lattice displacement damage. Critical uncertainty aspects go beyond just the material cross sections and involve the consideration of energy-dependent cross reaction correlations, the recoil ion energy spectrum, and models used for the partitioning of the recoil ion energy into various forms of energy deposition. This paper starts with a review of terminology and then examines the current approaches in the characterization of uncertainty in radiation damage metrics for several applications. The major deficiencies in the uncertainty of the damage metric characterization are also identified.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Synthesis and field emission behaviour of well faceted In{sub 2}Se{sub 3} micro-crystals

Here in, we report synthesis of crystalline Indium Selenide (In{sub 2}Se{sub 3}) elegant microcrystals on Au coated Si substrates using one-step facile thermal evaporation route and their field emission investigations. The as-synthesized In{sub 2}Se{sub 3} micro-crystals were subjected to structural and morphological analysis prior to the field emission studies. The XRD spectrum of the as-synthesized product reveals formation of crystalline hexagonal phase of In{sub 2}Se{sub 3} under the prevailing experimental conditions. Under optimized process variables, the morphology of the as-synthesized product is characterized by presence of well facetted micron size particles of In2Se3. Furthermore, the EDAX analysis confirms the presence of In and Se in the as-synthesized sample. The field emission characteristic of the In{sub 2}Se{sub 3} micro-crystal emitter is found to be superior to the other metal chalcogenides micro-crystal based emitters. The synthesized In{sub 2}Se{sub 3} micro-crystals emitter delivers current density of ∼ 225 µA/cm{sup 2} at an applied electric field of ∼ 7.44 V/µm. The emission current stability investigated at pre-set value of ∼ 3 µA is observed to be fairly good. These observed results demonstrate potential of the In{sub 2}Se{sub 3} cathode as an electron source for practical applications in vacuum microelectronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Study of multi-functionality of lanthanum ferrite (LaFeO{sub 3})

In the present work, multifunctional behaviors of LaFeO{sub 3} (LFO) are investigated by studying its dielectric and photocatalytic properties, respectively. LFO is synthesized by microwave-assisted co-precipitation route. Orthorhombic structure is confirmed by X-ray diffraction (XRD) and data is well fitted using Rietveld refinement by Full-Prof suite. Frequency and Temperature dependence dielectric behavior are systematically studied. The dielectric constant of LFO was found to be 2500 – 3000 with dissipation factor less than 5%. Photodegradation of toxic dye (Methylene Blue) using as-prepared LFO is also investigated. UV-visible absorption spectra are used to study the photodegradation behaviour. Photodegradation of methylene blue (MB) taken from textile industries by LFO are reported. The colossal value of dielectric constant of LFO exhibits high potential to use as room temperature capacitive component for device miniaturization in microelectronics as well as photodegradation ability shows good photocatalyst.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Density functional theory study of the influence of segregation of S or Fe impurities on electromigration in nano-grained copper interconnects

The reliability of the circuits in the modern microelectronic devices remains, during last decades, one of the key topics in research and gains an attention for improving the promising candidates for conductors. Improvement of materials for such applications can be obtained by both electronic and compositional optimization. Ab initio calculations using full potential linearized augmented plane wave method in density functional theory are applied to explain the reduction in electromigration effect in the vicinity of grain boundaries (GB) in nano-structured Cu due to the segregation of some additives to the GB. Several possible mechanisms are considered. It is demonstrated that S atoms segregated to GB of nano-structured Cu lead to the growth of effective mass of the electrons. This decreases the mobility of electrons in external electric field, and, correspondingly, the momentum that they may transfer to atoms in collisions. Fe atoms segregated to GB of Cu create new empty states at the top of the valance band. These non-occupied states may stimulate the current of holes when external electric field is applied to the system, creating the “hole wind” in the direction opposite to the current of electrons. Such “hole wind” will compensate the forces generated by the electron current and therefore will reduce the total momentum transfer between charge carriers and atoms. The calculated electron density maps show that S and Fe segregating to Cu GB increases the strength of covalent bonds reducing the diffusion of Cu atoms in the vicinity of GB.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

An electrically tunable plenoptic camera using a liquid crystal microlens array

Plenoptic cameras generally employ a microlens array positioned between the main lens and the image sensor to capture the three-dimensional target radiation in the visible range. Because the focal length of common refractive or diffractive microlenses is fixed, the depth of field (DOF) is limited so as to restrict their imaging capability. In this paper, we propose a new plenoptic camera using a liquid crystal microlens array (LCMLA) with electrically tunable focal length. The developed LCMLA is fabricated by traditional photolithography and standard microelectronic techniques, and then, its focusing performance is experimentally presented. The fabricated LCMLA is directly integrated with an image sensor to construct a prototyped LCMLA-based plenoptic camera for acquiring raw radiation of targets. Our experiments demonstrate that the focused region of the LCMLA-based plenoptic camera can be shifted efficiently through electrically tuning the LCMLA used, which is equivalent to the extension of the DOF.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Effects of vacuum ultraviolet irradiation on trapped charges and leakage currents of low-k organosilicate dielectrics

Vacuum ultraviolet (VUV) photoemission spectroscopy is utilized to investigate the distribution of trapped charges within the bandgap of low dielectric constant (low-k) organosilicate (SiCOH) materials. It was found that trapped charges are continuously distributed within the bandgap of porous SiCOH and the center of the trapped states is 1.3 eV above the valence band of the tested sample. By comparing photoemission spectroscopic results before and after VUV exposure, VUV irradiation with photon energies between 7.6 and 8.9 eV was found to deplete trapped charge while UV exposure with photon energies less than 6.0 eV induces more trapped charges in tested samples. Current-Voltage (IV) characteristics results show that the reliability of dielectrics is improved after VUV irradiation with photon energies between 7.6 and 8.9 eV, while UV exposure results in an increased level of leakage current and a decreased breakdown voltage, both of which are harmful to the reliability of the dielectric. This work shows that VUV irradiation holds the potential to substitute for UV curing in microelectronic processing to improve the reliability of low-k dielectrics by mitigating the leakage currents and trapped charges induced by UV irradiation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

On the interplay between relaxation, defect formation, and atomic Sn distribution in Ge{sub (1−x)}Sn{sub (x)} unraveled with atom probe tomography

Ge{sub (1−x)}Sn{sub (x)} has received a lot of interest for opto-electronic applications and for strain engineering in advanced complementary-metal-oxide-semiconductor technology, because it enables engineering of the band gap and inducing strain in the alloy. To target a reliable technology for mass application in microelectronic devices, the physical problem to be addressed is to unravel the complex relationship between strain relaxation (as induced by the growth of large layer thicknesses or a thermal anneal) and defect formation, and/or stable Sn-cluster formation. In this paper, we study the onset of Sn-cluster formation and its link to strain relaxation using Atom Probe Tomography (APT). To this end, we also propose a modification of the core-linkage [Stephenson et al., Microsc. Microanal. 13, 448 (2007)] cluster analysis method, to overcome the challenges of limited detection efficiency and lateral resolution of APT, and the quantitative assessment for very small clusters (<40 atoms) embedded in a random distribution of Sn-atoms. We concluded that the main relaxation mechanism for these layers is defect generation (misfit dislocations, threading dislocations, etc.), irrespective of the cause (thickness of layer or thermal anneal) of relaxation and is independent of the cluster formation. The low thermodynamic solubility limit of Sn in Ge seems to be the driving force for Sn-cluster formation. Finally, we also discuss the spatial distribution of Sn in clusters and relate them to the theoretically predicted stable Sn clusters [Ventura et al., Phys. Rev. B 79, 155202 (2009)].

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Investigation of electrochemical migration on Sn-0.7Cu-0.3Ag-0.03P-0.005Ni solder alloy in HNO{sub 3} solution

Current issue in lead-free solder in term of its reliability is still under investigation. This high impact research attempts to investigate the electrochemical migration (ECM) on Sn-0.7Cu-0.3Ag-0.03P-0.005Ni solder alloy by Water Drop Test (WDT) in different concentration of HNO{sub 3} solution. The concentration of HNO{sub 3} solution used in this research was 0.05, 0.10, 0.50 and 1M. Optical Microscope (OM), Field Emission Scanning Electron Microscope (FESEM) and Energy Dispersive X-Ray Analysis (EDX) were carried out in order to analysis the ECM behavior based on the growth of dendrite formation after WDT. In general, the results demonstrated that dendrite growth is faster in higher concentration compared with low concentration of HNO{sub 3}. The concentration of HNO{sub 3} solution used has a strong correlation with Mean-Time-To-Failure (MTTF). As the concentration of HNO{sub 3} increases, the MTTF value decreases. Based on the MTTF results the solder alloy in 1M HNO{sub 3} solution is most susceptible to ECM. SnO{sub 2} forms as a corrosion by-product in the samples proved by EDX analysis. The solder alloy poses a high reliability risk in microelectronic devices during operation in 1M HNO{sub 3} solution.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of gamma radiation on micromechanical hardness of lead-free solder joint

Lead-free solders are important material in nano and microelectronic surface mounting technology for various applications in bio medicine, environmental monitoring, spacecraft and satellite instrumentation. Nevertheless solder joint in radiation environment needs higher reliability and resistance to any damage caused by ionizing radiations. In this study a lead-free 99.0Sn0.3Ag0.7Cu wt.% (SAC) solder joint was developed and subjected to various doses of gamma radiation to investigate the effects of the ionizing radiation to micromechanical hardness of the solder. Averaged hardness of the SAC joint was obtained from nanoindentation test. The results show a relationship between hardness values of indentations and the increment of radiation dose. Highest mean hardness, 0.2290 ± 0.0270 GPa was calculated on solder joint which was exposed to 5 Gray dose of gamma radiation. This value indicates possible radiation hardening effect on irradiated solder. The hardness gradually decreased to 0.1933 ± 0.0210 GPa and 0.1631 ± 0.0173 GPa when exposed to doses 50 and 500 gray respectively. These values are also lower than the hardness of non irradiated sample which was calculated as 0.2084 ± 0.0.3633 GPa indicating possible radiation damage and needs further related atomic dislocation study.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Steady-state low thermal resistance characterization apparatus: The bulk thermal tester

The reliability of microelectronic devices is largely dependent on electronic packaging, which includes heat removal. The appropriate packaging design therefore necessitates precise knowledge of the relevant material properties, including thermal resistance and thermal conductivity. Thin materials and high conductivity layers make their thermal characterization challenging. A steady state measurement technique is presented and evaluated with the purpose to characterize samples with a thermal resistance below 100 mm{sup 2} K/W. It is based on the heat flow meter bar approach made up by two copper blocks and relies exclusively on temperature measurements from thermocouples. The importance of thermocouple calibration is emphasized in order to obtain accurate temperature readings. An in depth error analysis, based on Gaussian error propagation, is carried out. An error sensitivity analysis highlights the importance of the precise knowledge of the thermal interface materials required for the measurements. Reference measurements on Mo samples reveal a measurement uncertainty in the range of 5% and most accurate measurements are obtained at high heat fluxes. Measurement techniques for homogeneous bulk samples, layered materials, and protruding cavity samples are discussed. Ultimately, a comprehensive overview of a steady state thermal characterization technique is provided, evaluating the accuracy of sample measurements with thermal resistances well below state of the art setups. Accurate characterization of materials used in heat removal applications, such as electronic packaging, will enable more efficient designs and ultimately contribute to energy savings.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗