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All sourcesNASA NTRSDOE OSTI
NASA NTRS2010

Scaled CMOS Technology Reliability Users Guide

The desire to assess the reliability of emerging scaled microelectronics technologies through faster reliability trials and more accurate acceleration models is the precursor for further research and experimentation in this relevant field. The effect of semiconductor scaling on microelectronics product reliability is an important aspect to the high reliability application user. From the perspective of a customer or user, who in many cases must deal with very limited, if any, manufacturer's reliability data to assess the product for a highly-reliable application, product-level testing is critical in the characterization and reliability assessment of advanced nanometer semiconductor scaling effects on microelectronics reliability. A methodology on how to accomplish this and techniques for deriving the expected product-level reliability on commercial memory products are provided.Competing mechanism theory and the multiple failure mechanism model are applied to the experimental results of scaled SDRAM products. Accelerated stress testing at multiple conditions is applied at the product level of several scaled memory products to assess the performance degradation and product reliability. Acceleration models are derived for each case. For several scaled SDRAM products, retention time degradation is studied and two distinct soft error populations are observed with each technology generation: early breakdown, characterized by randomly distributed weak bits with Weibull slope (beta)=1, and a main population breakdown with an increasing failure rate. Retention time soft error rates are calculated and a multiple failure mechanism acceleration model with parameters is derived for each technology. Defect densities are calculated and reflect a decreasing trend in the percentage of random defective bits for each successive product generation. A normalized soft error failure rate of the memory data retention time in FIT/Gb and FIT/cm2 for several scaled SDRAM generations is presented revealing a power relationship. General models describing the soft error rates across scaled product generations are presented. The analysis methodology may be applied to other scaled microelectronic products and their key parameters.

Microelectronics Reliability↗
DOE OSTI2025

Advances in understanding vacuum break dynamics in liquid helium-cooled tubes for accelerator beamline applications

Understanding air propagation and condensation following a catastrophic vacuum break in particle accelerator beamlines cooled by liquid helium is essential for ensuring operational safety. This review summarizes experimental and theoretical work conducted in our cryogenics lab to address this issue. Systematic measurements were performed to study nitrogen gas propagation in uniform copper tubes cooled by both normal liquid helium (He I) and superfluid helium (He II). These experiments revealed a nearly exponential deceleration of the gas front, with stronger deceleration observed in He II-cooled tubes. To interpret these results, a one-dimensional (1D) theoretical model was developed, incorporating gas dynamics, heat transfer, and condensation mechanisms. The model successfully reproduced key experimental observations in the uniform tube system. However, recent experiments involving a bulky copper cavity designed to mimic the geometry of a superconducting radiofrequency (SRF) cavity revealed strong anisotropic flow patterns of nitrogen gas within the cavity, highlighting limitations in extrapolating results from simplified tube geometries to real accelerator beamlines. To address these complexities, we outline plans for systematic studies using tubes with multiple bulky cavities and the development of a two-dimensional (2D) model to simulate gas dynamics in these more intricate configurations. As a result, these efforts aim to provide a comprehensive understanding of vacuum breaks in particle accelerators and improve predictive capabilities for their operational safety.

Beamline tube↗
NASA NTRS2016

Using Tabulated Experimental Data to Drive an Orthotropic Elasto-Plastic Three-Dimensional Model for Impact Analysis

An orthotropic elasto-plastic-damage three-dimensional model with tabulated input has been developed to analyze the impact response of composite materials. The theory has been implemented as MAT 213 into a tailored version of LS-DYNA being developed under a joint effort of the FAA and NASA and has the following features: (a) the theory addresses any composite architecture that can be experimentally characterized as an orthotropic material and includes rate and temperature sensitivities, (b) the formulation is applicable for solid as well as shell element implementations and utilizes input data in a tabulated form directly from processed experimental data, (c) deformation and damage mechanics are both accounted for within the material model, (d) failure criteria are established that are functions of strain and damage parameters, and mesh size dependence is included, and (e) the theory can be efficiently implemented into a commercial code for both sequential and parallel executions. The salient features of the theory as implemented in LS-DYNA are illustrated using a widely used composite - the T800S/3900-2B[P2352W-19] BMS8-276 Rev-H-Unitape fiber/resin unidirectional composite. First, the experimental tests to characterize the deformation, damage and failure parameters in the material behavior are discussed. Second, the MAT213 input model and implementation details are presented with particular attention given to procedures that have been incorporated to ensure that the yield surfaces in the rate and temperature dependent plasticity model are convex. Finally, the paper concludes with a validation test designed to test the stability, accuracy and efficiency of the implemented model.

Polymer Matrix Composites↗
NASA NTRS1973

Register of experts for information on mechanics of structural failure

A list of approximately 150 experts from approximately 60 organizations who have published results of theoretical and/or experimental research related to six problem areas in the mechanics of structural failure is presented. Each author included is listed by organizational affiliation, address and principal field of expertise. The initial criteria for the selection of names for the register are recent contributions to the literature, participation in or support of relevant research programs, and referral by peers. The purpose of the register is to present, in easy reference form, sources for dependable information regarding failure modes and mechanisms of aerospace structures. The Register includes two indexes: an alphabetical listing of the experts and an alphabetical listing of the organizations with whom they are affiliated.

Carpenter, J. L., Jr.↗
NASA NTRS1974

Turbulent vortex streets and the entrainment mechanism of the turbulent wake

The results of an experimental investigation of a turbulent vortex street in the range from 1000 to 20,000 are presented. The vortex street was created by the motion of a circular cylinder in a motionless fluid (mercury). Photographs obtained showed that the turbulent street, created by the vortex shedding behind the cylinder, persisted at longer downstream distances and higher Reynolds numbers than previously reported in the literature. A theory was developed to account for the experimental measurements pertaining to the change of the geometrical characteristics, (the distance between the two rows of vortices and the longitudinal distance between two consecutive vortices on the same row), of the street in the downstream direction. The implications of the structure of the vortex street on the entrainment mechanism of the turbulent wake are discussed.

Papailiou, D. D.↗
DOE OSTI2021

Experimental and computational investigation of the bond energy of thorium dicarbonyl cation and theoretical elucidation of its isomerization mechanism to the thermodynamically most stable isomer, thorium oxide ketenylidene cation, OTh + CCO

Collision-induced dissociation (CID) of [Th,2C,2O] + with Xe is performed using a guided ion beam tandem mass spectrometer (GIBMS). The only products observed are ThCO + and Th + by sequential loss of CO ligands. The experimental findings and theoretical calculations support that the structure of [Th,2C,2O] + is the bent homoleptic thorium dicarbonyl cation, Th + (CO) 2 , having quartet spin, which is both thermodynamically and kinetically stable enough in the gas phase to be observed in our GIBMS instrument. Analysis of the kinetic energy-dependent cross sections for this CID reaction yields the first experimental determination of the bond dissociation energy (BDE) of (CO)Th + –CO at 0 K as 1.05 ± 0.09 eV. A theoretical BDE calculated at the CCSD(T) level with cc-pVXZ (X = T and Q) basis sets and a complete basis set (CBS) extrapolation is in very good agreement with the experimental result. Although the doublet spin bent thorium oxide ketenylidene cation, OTh + CCO, is calculated to be the most thermodynamically stable structure, it is not observed in our experiment where [Th,2C,2O] + is formed by association of Th + and CO in a direct current discharge flow tube (DC/FT) ion source. Potential energy profiles of both quartet and doublet spin are constructed to elucidate the isomerization mechanism of Th + (CO) 2 to OTh + CCO. The failure to observe OTh + CCO is attributed to a barrier associated with C–C bond formation, which makes OTh + CCO kinetically inaccessible under our experimental conditions. Furthermore, chemical bonding patterns in low-lying states of linear and bent Th + (CO) 2 and OTh + CCO isomers are also investigated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2004

Experimental Characterization of Piezoelectric Radial Field Diaphragms for Fluidic Control

NASA has recently developed a new piezoelectric actuator, the Radial Field Diaphragm or RFD. This actuator uses a radially-directed electric field to generate concentric out-of-plane (Z-axis) motion that allows this packaged device to be used as a pump or valve diaphragm. In order to efficiently use this new active device, experimental determination of pressure, flow rate, mechanical work, power consumption and overall efficiency needs to be determined by actually building a pump. However, without an optimized pump design, it is difficult to assess the quality of the data, as these results are inherent to the actual pump. Hence, separate experiments must be conducted in order to generate independent results to help guide the design criteria and pump quality. This paper focuses on the experiments used to generate the RFD's operational parameters and then compares these results to the experimentally determined results of several types of ball pumps. Also discussed are how errors are inherently introduced into the experiments, the pump design, experimental hardware and their effects on the overall system efficiency.

Bryant, R. G.↗
DOE OSTI2022

Combining Experimental and Theoretical Techniques to Gain an Atomic Level Understanding of the Defect Binding Mechanism in Hard Carbon Anodes for Sodium Ion Batteries

Sodium ion batteries (NIBs) are an attractive alternative to lithium–ion batteries in applications that require large–scale energy storage due to sodium's high natural abundance and low cost. Hard carbon (HC) is the most promising anode material for NIBs; however, there is a knowledge gap in the understanding of the sodium binding mechanism that prevents a rational design of HC. This study tunes sucrose–derived HC via synthesis temperature then evaluates the structural, physical, and electrochemical properties. Neutron total scattering is used to generate structural models by fitting pair distribution functions (PDF) with a combination of molecular dynamics and reverse Monte Carlo methods. From this model, the number and type of structural features are identified, quantified, and correlated to the galvanostatic charge/discharge. A method of PDF “fingerprinting” binding sites using Na probe atoms is developed and analyzing these PDFs reveals an atomistic view of ion binding sites responsible for “defect” storage mechanisms. Combining these techniques results in an atomic–level study that provides a big picture of the Na–binding mechanism in NIBs, which allows for more precise tuning of the structure–property relationships in the future. Finally, the methodologies developed will also enable new strategies for the analysis of amorphous functional materials.

25 ENERGY STORAGE↗
DOE OSTI2022

High temperature superconductivity in the candidate phases of solid hydrogen

As the simplest element in nature, unraveling the phase diagram of hydrogen is a primary task for condensed matter physics. As conjectured many decades ago, in the low-temperature and high-pressure part of the phase diagram, solid hydrogen is expected to become metallic with a high superconducting transition temperature. The metallization may occur via band gap closure in the molecular solid or via a transition to the atomic solid. Recently, a few experimental studies pushed the achievable pressures into the 400–500 GPa range. There are strong indications that at some pressure in this range metallization via either of these mechanisms occurs, although there are disagreements between experimental reports. Furthermore, there are multiple good candidate crystal phases that have emerged from recent computational and experimental studies which may be realized in upcoming experiments. Therefore, it is crucial to determine the superconducting properties of these candidate phases. In a recent study, we reported the superconducting properties of the C2/c-24 phase, which we believe to be a strong candidate for metallization via band gap closure. Here, we report the superconducting properties of the Cmca-12, Cmca-4 and I4 1 /amd-2 phases including the anharmonic effects using a Wannier function-based dense k-point and q-point sampling. Here we find that the Cmca-12 phase has a superconducting transition temperature that rises from 86 K at 400 GPa to 212 K at 500 GPa, whereas the Cmca-4 and I4 1 /amd-2 phases show a less pressure-dependent behavior with their T c in the 74–94 K and 307–343 K ranges, respectively. These properties can be used to distinguish between crystal phases in future experiments. Understanding superconductivity in pure hydrogen is also important in the study of high-T c hydrides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Sulfur poisoning mechanism of LSCF cathode material in the presence of SO 2 : a computational and experimental study

Aiming at the comprehensive understanding of the single sulfur poisoning effect and, eventually, the multiple impurities poisoning phenomena on the SOFC (Solid Oxide Fuel Cell) cathode materials, the sulfur poisoning effect on the (La 0.6 Sr 0.4 ) 0.95 Co 0.2 Fe 0.8 O 3 (LSCF-6428) has been investigated in the presence of 10 ppm SO 2 at 800, 900, and 1000°C, respectively, with a combined computational and experimental approach. The good agreement between the CALPHAD (Computer Coupling of Phase Diagrams and Thermochemistry) simulations and the XRD (X-Ray Diffraction), SEM (Scanning Electron Microscopy), and TEM (Transmission Electron Microscopy) characterization results support the reliability of the CALPHAD approach in the SOFC field. Furthermore, comprehensive simulations were made to understand the impact of temperature, P(SO 2 ), P(O 2 ), and Sr concentration on the threshold of SrSO 4 stability. Results showed that the formation of SrSO4 is thermodynamically favored at lower temperatures, higher P(SO 2 ), higher P(O 2 ), and higher Sr concentration. Finally, comparisons were also made between LSCF-6428 and LSM20 (La 0.8 Sr 0.2 MnO 3 ) using simulations, which confirmed that LSCF-6428 is a poor sulfur-tolerant cathode, in agreement with the literature.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Strain rate effects on mechanical properties of fiber composites, part 3

An experimental investigation was conducted to determine the strain rate effects in fiber composites. Unidirectional composite specimens of boron/epoxy, graphite/epoxy, S-glass/epoxy and Kevlar/epoxy were tested to determine longitudinal, transverse and intralaminar (in-plane) shear properties. In the Longitudinal direction the Kevlar/epoxy shows a definite increase in both modulus and strength with strain rate. In the transverse direction, a general trend toward higher strength with strain rate is noticed. The intralaminar shear moduli and strengths of boron/epoxy and graphite/epoxy show a definite rise with strain rate.

Daniel, I. M.↗
DOE OSTI2021

Carbon dioxide capture with aqueous amino acids: Mechanistic study of amino acid regeneration by guanidine crystallization and process intensification

CO 2 capture from powerplant-generated flue gas via a phase-changing process involving absorption with aqueous amino acids (e.g., glycine or sarcosine) and bicarbonate crystallization with bis-iminoguanidines (e.g., glyoxal-bis-iminoguanidine or GBIG) is investigated in this paper. This process is of high interest due to its potential to decrease the energy penalty for CO 2 capture by significantly reducing the solvent regeneration energy typically associated with aqueous amine solvents. A critical step in the proposed CO 2 capture mechanism is the regeneration of the amino acid by removal of protons and bicarbonate ions from solution through crystallization of GBIGH 2 2+ bicarbonate salt. Here, we investigated the thermodynamics and kinetics of glycine regeneration by crystallization of GBIGH 2 2+ (HCO 3 – ) 2 (H 2 O) 2 . A theoretical model was developed and compared to experimental data to simulate and predict the glycine regeneration and determine its reaction mechanism. This combined experimental and theoretical study led to the conclusion that, while the GBIGH 2 2+ bicarbonate crystallization step provides most of the thermodynamic driving force for the glycine regeneration, the rate-limiting step is the protonation of GBIG prior to crystallization. The CO 2 loading and amino acid regeneration steps were combined into a single, intensified process using a bubble column reactor. The CO 2 loading capacity of GBIG was experimentally determined to be roughly 1.36 mol CO 2 per mol GBIG. These results provide the fundamental basis for developing an effective carbon capture technology with phase-changing amino acid/guanidine absorbents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Low-temperature carbonization of polyacrylonitrile/graphene carbon fibers: A combined ReaxFF molecular dynamics and experimental study

Graphene inclusion in a polymer matrix is a promising route to significantly enhance the mechanical properties of low-grade carbon fibers (CFs). Using ReaxFF molecular dynamics simulation, the atomistic mechanism leading to this enhancement is investigated. We demonstrate that the graphene edges along with the nitrogen and oxygen functional groups play a catalytic role and act as seeds to expedite alignment of the all-carbon rings, which are starting sites for the growth of graphitic structures. To examine the role of this proposed mechanism that enhances the graphitic structure of PAN/graphene CFs, we discuss the experimental results wherein the PAN/graphene CFs carbonized at 1250 C demonstrate 91% (from 632 to 1207 MPa) increase in strength and 101% (from 88 to 177 GPa) enhancement in Young’s modulus compared to PAN-based CFs carbonized at 1500 C. In conclusion, these enhanced mechanical properties of low-grade carbon fibers achieved via graphene inclusion at decreased carbonization temperature provide a means to realize both energy savings and cost reduction.

42 ENGINEERING↗
DOE OSTI2020

Kinetics of 2-Methylfuran Acylation with Fatty Acid Anhydrides for Biorenewable Surfactants

Friedel–Crafts acylation using long-chain fatty acid derivatives and biomass-derived furans is the key reaction to produce “alkyl furan ketones”, an important precursor for biorenewable oleo-furan surfactants. In this work, the steady-state acylation kinetics and reaction mechanism were investigated using a model system of 2-methylfuran and n-octanoic anhydride in a fixed-bed tubular reactor using Al-MCM-41, a mesoporous aluminosilicate. An apparent activation energy (15.5 ± 1.4 kcal mol –1 ) was obtained for the formation of the acylated product, 2-octanoyl-5-methylfuran (2O5MF), for a temperature range of 348–408 K. Furthermore, the apparent reaction rate orders were ~0.6 and ~0.5 in the 2-methylfuran and anhydride concentrations, respectively, while near-zero apparent rate orders were measured in the product concentrations, indicating negligible product inhibition. An Eley–Rideal catalytic acylation mechanism was proposed to explain the experimentally observed apparent rate orders.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1982

Prediction of residual tensile strength of transversely impacted composite laminates

The response to low velocity impact of graphite-epoxy T300/5208 composite laminates is discussed. Steel balls of 3/8 inch, 5/8 inch, and 1 inch diameter were the projectiles. Impact energy was limited to 1.2 joules. Impacted specimens were ultrasonically C scanned to determine the impact damaged region. The threshold value of impact energy for impact damage was found to be approximately 0.3 joules. A model was developed to predict the tensile residual strength of impact damaged specimens from fracture mechanics concepts. Impacted specimens were tested in tension to provide a fracture data base. The experimental results agreed well with the predictions from fracture mechanics. In this study, the maximum impact velocity used to simulate the low velocity transverse impact from common objects like tool drops was 10 m/s.

Lal, K. M.↗
DOE OSTI2022

Characterization and Modeling of Deformation Induced Damage in Titanium Alloys

Over the lifetime of their DOE support, and specifically during the past funding cycle, the PIs have primarily focused on ambient temperature studies of the mechanisms of heterogeneous deformation and shear transfer at GBs. The PIs have developed and applied a broad array of experimental approaches complemented by advanced computational methods and simulations to enable new understanding of GB shear transfer, and a new approach for modeling this behavior at the mechanistic level has been established. The PIs have examined how slip behavior differs on the surface and interior of polycrystals using a variety of approaches. Some of the associated data has been used to generate 3-D models of experimentally-characterized microstructures that both support interpretation of deformation mechanisms as well as reveal where modeling needs to be improved to more closely agree with what is experimentally observed. The PIs progress in constitutive modeling of crystal plasticity has introduced explicit GB resistance to shear that depends on the mutual geometry of active slip systems. This past work places the PIs in a good position to take on the challenges associated with mechanistically understanding the interplay between GBS and slip interactions.

42 ENGINEERING↗