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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Dielectric Performance of a High Purity HTCC Alumina at High Temperatures - a Comparison Study with Other Polycrystalline Alumina

A very high purity (99.99+%) high temperature co-fired ceramic (HTCC) alumina has recently become commercially available. The raw material of this HTCC alumina is very different from conventional HTCC alumina, and more importantly there is no glass additive in this alumina material for co-firing processing. Previously, selected HTCC and LTCC (low temperature co-fired ceramic) alumina materials were evaluated at high temperatures as dielectric and compared to a regularly sintered 96% polycrystalline alumina (96% Al2O3), where 96% alumina was used as the benchmark. A prototype packaging system based on regular 96% alumina with Au thickfilm metallization successfully facilitated long term testing of high temperature silicon carbide (SiC) electronic devices for over 10,000 hours at 500 C. In order to evaluate this new high purity HTCC alumina for possible high temperature packaging applications, the dielectric properties of this HTCC alumina substrate were measured and compared with those of 96% alumina and a previously tested LTCC alumina from room temperature to 550 C at frequencies of 120 Hz, 1 KHz, 10 KHz, 100 KHz, and 1 MHz. A parallel-plate capacitive device with dielectric of the HTCC alumina and precious metal electrodes were used for measurements of the dielectric constant and dielectric loss of the co-fired alumina material in the temperature and frequency ranges. The capacitance and AC parallel conductance of the capacitive device were directly measured by an AC impedance meter, and the dielectric constant and parallel AC conductivity of the dielectric were calculated from the capacitance and conductance measurement results. The temperature and frequency dependent dielectric constant, AC conductivity, and dissipation factor of the HTCC alumina substrate are presented and compared to those of 96% alumina and a selected LTCC alumina. Other technical advantages of this new co-fired material for possible high packaging applications are also discussed.

Electronic packaging↗
NASA NTRS2017

Application of Temperature-Controlled Thermal Atomization for Printing Electronics in Space

Additive Manufacturing (AM) is a technology that builds three dimensional objects by adding material layer-upon-layer throughout the fabrication process. The Electrical, Electronic and Electromechanical (EEE) parts packaging group at Marshall Space Flight Center (MSFC) is investigating how various AM and 3D printing processes can be adapted to the microgravity environment of space to enable on demand manufacturing of electronics. The current state-of-the art processes for accomplishing the task of printing electronics through non-contact, direct-write means rely heavily on the process of atomization of liquid inks into fine aerosols to be delivered ultimately to a machine's print head and through its nozzle. As a result of cumulative International Space Station (ISS) research into the behaviors of fluids in zero-gravity, our experience leads us to conclude that the direct adaptation of conventional atomization processes will likely fall short and alternative approaches will need to be explored. In this report, we investigate the development of an alternative approach to atomizing electronic materials by way of thermal atomization, to be used in place of conventional aerosol generation and delivery processes for printing electronics in space.

Wu, Chih-Hao↗
NASA NTRS2000

Getters for Reliable Hermetic Packages

A variety of sealed-off devices such as cathode ray tubes (CRT's) electron tubes, plasma displays, particle accelarators and colliders vacuum thermal insulation, ultra-high vacuum (UHV), extreme high vacuum (XHV) systems for semiconductor processing, X-ray tubes, lamps, field-emission displays (FEDs) flat panel displays (FPDs), some microelectromechanical systems (MEMS) and science instruments for space applications, nuclear systems require a vacuum for their successful operation.

getters hermetic packaging electronic↗
DOE OSTI2022

First-Principles Calculations of Thermoelectric Transport Properties of Quaternary and Ternary Bulk Chalcogenide Crystals

Chalcogenide crystals have a wide range of applications, especially as thermoelectric materials for energy conversion. Thermoelectric materials can be used to generate an electric current from a temperature gradient based on the Seebeck effect and based on the Peltier effect, and they can be used in cooling applications. Using first-principles calculations and semiclassical Boltzmann theory, we have computed the Seebeck coefficient, electrical conductivity, electronic thermal conductivity, power factor, and figure of merit of 30 chalcogenide crystals. A Quantum Espresso package is used to calculate the electronic properties and locate the Fermi level. The transport properties are then calculated using the BoltzTraP code. The 30 crystals are divided into two groups. The first group has four crystals with quaternary composition (A 2 BCQ 4 ) (A = Tl; B = Cd, Hg; C = Si, Ge, Sn; Q = S, Se, Te). The second group contains 26 crystals with the ternary composition (A’B’Q 2 ) (A’ = Ag, Cu, Au, Na; B’ = B, Al, Ga, In; Q = S, Se, Te). Among these 30 chalcogenide crystals, the results for 11 crystals: Tl 2 CdGeSe 4 , Tl 2 CdSnSe 4 , Tl 2 HgSiSe 4 , Tl 2 HgSnS 4 , AuBSe 2 , AuBTe 2 , AuAlTe 2 , AuGaTe 2 , AuInTe 2 , AgAlSe 2 , and AgAlTe 2 are revealed for the first time. In addition, temperature-dependent transport properties of pure and doped AgSbSe 2 and AgSbTe 2 crystals with dopant compositions of AgSb 0.94 Cd 0.06 Te 2 and AgSbTe 1.85 Se 0.15 were explored. These results provide an excellent database for bulk chalcogenides crucial for a wide range of potential applications in renewable energy fields.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Dielectric Performance of High Purity HTCC Alumina at High Temperatures - A Comparison Study with Other Polycrystalline Alumina

A very high purity (99.99+) high temperature co-fired ceramic (HTCC) alumina has recently become commercially available. The raw material of this HTCC alumina is very different from conventional HTCC alumina, and more importantly there is no glass additive in this co-fired material. Previously, selected HTCC and LTCC (low temperature co-fired ceramic) alumina materials were evaluated at high temperatures as dielectric and compared to a regularly sintered 96 polycrystalline alumina (96 Al2O3), where 96 alumina was used as the benchmark. A prototype packaging system based on regular 96 alumina with Au thick-film metallization successfully facilitated long term testing of high temperature silicon carbide (SiC) electronic devices for over 10,000 hours at 500C. In order to evaluate this new HTCC alumina for possible high temperature packaging applications, the dielectric properties of this HTCC alumina substrate were measured and compared with those of 96 alumina and a LTCC alumina from room temperature to 550C at frequencies of 120 Hz, 1 KHz, 10 KHz, 100 KHz, and 1 MHz. A parallel-plate capacitive device with dielectric of the HTCC alumina and precious metal electrodes were used for measurements of the dielectric constant and dielectric loss of the co-fired alumina material in the temperature and frequency ranges. The capacitance and AC parallel conductance of the capacitive device were directly measured by an AC impedance meter, and the dielectric constant and parallel AC conductivity of the dielectric were calculated from the capacitance and conductance measurement results. The temperature and frequency dependent dielectric constant, AC conductivity, and dissipation factor of the HTCC alumina substrate are presented and compared to those of 96 alumina. Other technical advantages of this new co-fired material for possible high packaging applications are also discussed.

High temperature↗
NASA NTRSDate not supplied

A 96% Alumina based Packaging System for 500°C Test of SiC Integrated Circuits

With the development of silicon carbide (SiC) sensors and electronic devices for operation at 500°C, compatible packaging technologies are needed for long term high temperature test and deployment of these sensors and electronic devices. 96% Al2O3ceramic is an excellent electrically insulating material with acceptable dielectric constant and low dielectric loss over wide temperature and frequency ranges. This paper presents a packaging system for low power integrated circuits including a prototype 8-I/O chip-level package and printed circuit board (PCB) based on 96% Al2O3ceramic substrates and Au thick-film metallization for 500°C applications. The details related to designs of packages and PCBs, packaging materials, and specific packaging step recipes including wire -bonding and die-attach, are presented. Some test results of this prototype packaging approach applied to SiC integrated circuits at 500°C are reviewed.

High Temperature, Packaging, Alumina, Thick Film↗
NASA NTRSDate not supplied

A 96% Alumina based Packaging System for 500°C Test of SiC Integrated Circuits

With the development of silicon carbide (SiC) sensors and electronic devices for operation at 500°C, compatible packaging technologies are needed for long term high temperature test and deployment of these sensors and electronic devices. 96% Al2O3 ceramic is an excellent electrically insulating material with acceptable dielectric constant and low dielectric loss over wide temperature and frequency ranges. This paper presents a packaging system for low power integrated circuits including a prototype 8-I/O chip-level package and printed circuit board (PCB) based on 96% Al2O3 ceramic substrates and Au thick-film metallization for 500°C applications. The details related to designs of packages and PCBs, packaging materials, and specific packaging step recipes including wire - bonding and die-attach, are presented. Some test results of this prototype packaging approach applied to SiC integrated circuits at 500oC are reviewed.

high temperature↗
NASA NTRS2008

Column Grid Array Rework for High Reliability

Due to requirements for reduced size and weight, use of grid array packages in space applications has become common place. To meet the requirement of high reliability and high number of I/Os, ceramic column grid array packages (CCGA) were selected for major electronic components used in next MARS Rover mission (specifically high density Field Programmable Gate Arrays). ABSTRACT The probability of removal and replacement of these devices on the actual flight printed wiring board assemblies is deemed to be very high because of last minute discoveries in final test which will dictate changes in the firmware. The questions and challenges presented to the manufacturing organizations engaged in the production of high reliability electronic assemblies are, Is the reliability of the PWBA adversely affected by rework (removal and replacement) of the CGA package? and How many times can we rework the same board without destroying a pad or degrading the lifetime of the assembly? To answer these questions, the most complex printed wiring board assembly used by the project was chosen to be used as the test vehicle, the PWB was modified to provide a daisy chain pattern, and a number of bare PWB s were acquired to this modified design. Non-functional 624 pin CGA packages with internal daisy chained matching the pattern on the PWB were procured. The combination of the modified PWB and the daisy chained packages enables continuity measurements of every soldered contact during subsequent testing and thermal cycling. Several test vehicles boards were assembled, reworked and then thermal cycled to assess the reliability of the solder joints and board material including pads and traces near the CGA. The details of rework process and results of thermal cycling are presented in this paper.

high reliability↗
DOE OSTI2020

TurboRVB: A many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

TurboRVB is a computational package for ab initio Quantum Monte Carlo (QMC) simulations of both molecular and bulk electronic systems. The code implements two types of well established QMC algorithms: Variational Monte Carlo (VMC) and diffusion Monte Carlo in its robust and efficient lattice regularized variant. A key feature of the code is the possibility of using strongly correlated many-body wave functions (WFs), capable of describing several materials with very high accuracy, even when standard mean-field approaches [e.g., density functional theory (DFT)] fail. The electronic WF is obtained by applying a Jastrow factor, which takes into account dynamical correlations, to the most general mean-field ground state, written either as an antisymmetrized geminal power with spin-singlet pairing or as a Pfaffian, including both singlet and triplet correlations. This WF can be viewed as an efficient implementation of the so-called resonating valence bond (RVB) Ansatz, first proposed by Pauling and Anderson in quantum chemistry [L. Pauling, The Nature of the Chemical Bond (Cornell University Press, 1960)] and condensed matter physics [P.W. Anderson, Mat. Res. Bull 8, 153 (1973)], respectively. The RVB Ansatz implemented in TurboRVB has a large variational freedom, including the Jastrow correlated Slater determinant as its simplest, but nontrivial case. Moreover, it has the remarkable advantage of remaining with an affordable computational cost, proportional to the one spent for the evaluation of a single Slater determinant. Therefore, its application to large systems is computationally feasible. The WF is expanded in a localized basis set. Several basis set functions are implemented, such as Gaussian, Slater, and mixed types, with no restriction on the choice of their contraction. The code implements the adjoint algorithmic differentiation that enables a very efficient evaluation of energy derivatives, comprising the ionic forces. Thus, one can perform structural optimizations and molecular dynamics in the canonical NVT ensemble at the VMC level. For the electronic part, a full WF optimization (Jastrow and antisymmetric parts together) is made possible, thanks to state-of-the-art stochastic algorithms for energy minimization. In the optimization procedure, the first guess can be obtained at the mean-field level by a built-in DFT driver. The code was efficiently parallelized by using a hybrid MPI-OpenMP protocol, which is also an ideal environment for exploiting the computational power of modern Graphics Processing Unit accelerators.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Evaluation of 3D Plus Packaging Test Structures for NASA Goddard Space Flight Center

Environmental tests were performed on packaging test structures designed and manufactured for ESA and CNES by 3D PLus ELectronics. The design provided circuit elements that acted as thermal, mechanical and moisture sensors. Other design features showed the compatibility of the packaging with chip passives, bare electronic dice and plastic encapsulated microcircuits packaged together in an innovative, stacked multichip module. The NASA GSFC testing augmented long duration testing on the same units carried out by ESA and CNES. The NASA portion demonstrated packaging stability over temperature, in moisture, with voltage stress, in shock and in vibration environments.

Plante, Jeannette↗
DOE OSTI2020

Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs

A fully self-consistent density-functional theory (DFT) with improved functionals is used herein to provide a comprehensive account of structural, electronic, and optical properties of C 3 N 4 polymorphs. Using our recently developed van Leeuwen-Baerends (vLB) corrected local-density approximation (LDA), we implemented LDA + vLB within full-potential N th -order muffin-tin orbital (FP-NMTO) method and show that it improves structural properties and band gaps compared to semi-local functionals (LDA/GGA). We demonstrate that the LDA + vLB predicts band-structure and work-function for well-studied 2D-graphene and bulk-Si in very good agreement with experiments, and more exact hybrid functional (HSE) calculations as implemented in the Quantum-Espresso (QE) package. The structural and electronic-structure (band gap) properties of C 3 N 4 polymorphs calculated using FP-NMTO-LDA + vLB is compared with more sophisticated hybrid-functional calculations. We also perform detailed investigation of photocatalytic behavior using QE-HSE method of C 3 N 4 polymorphs through work-function, band (valence and conduction) position with respect to water reduction and oxidation potential. Our results show $γ$-C 3 N 4 as the best candidate for photocatalysis among all the C 3 N 4 polymorphs but it is dynamically unstable at ‘zero’ pressure. We show that $γ$-C 3 N 4 can be stabilized under hydrostatic-pressure, which improves its photocatalytic behavior relative to water reduction and oxidation potentials.

36 MATERIALS SCIENCE↗
NASA NTRS1990

R-matrix calculations for electron-impact excitation of C(+), N(2+), and O(3+) including fine structure

The new R-matrix package for comprehensive close-coupling calculations for electron scattering with the first three ions in the boron isoelectronic sequence, the astrophysically significant C(+), N(2+), and O(3+), is presented. The collision strengths are calculated in the LS coupling approximation, as well as in pair-coupling scheme, for the transitions among the fine-structure sublevels. Calculations are carried out at a large number of energies in order to study the detailed effects of autoionizing resonances.

Luo, D.↗
NASA NTRS2011

Miniature Laser Magnetometer

A conceptual design has been developed for a miniature laser magnetometer (MLM) that will measure the scalar magnitude and vector components of near-Earth magnetic fields. The MLM incorporates a number of technical innovations to achieve high-accuracy and high-resolution performance while significantly reducing the size of the laser-pumped helium magnetometer for use on small satellites and unmanned aerial vehicles (UAVs). and electronics sections that has the capability of measuring both the scalar magnetic field magnitude and the vector magnetic field components. Further more, the high-accuracy scalar measurements are used to calibrate and correct the vector component measurements in order to achieve superior vector accuracy and stability. The correction algorithm applied to the vector components for calibration and the same cell for vector and scalar measurements are major innovations. The separate sensor and electronics section of the MLM instrument allow the sensor to be installed on a boom or otherwise located away from electronics and other noisy magnetic components. The MLM s miniaturization will be accomplished through the use of advanced miniaturized components and packaging methods for the MLM sensor and electronics. The MLM conceptual design includes three key innovations. The first is a new non-magnetic laser package that will allow the placement of the laser pump source near the helium cell sensing elements. The second innovation is the design of compact, nested, triaxial Braunbek coils used in the vector measurements that reduce the coil size by a factor of two compared to existing Helmholtz coils with similar field-generation performance. The third innovation is a compact sensor design that reduces the sensor volume by a factor of eight compared to MLM s predecessor.

Slocum, Robert↗
NASA NTRS1999

3D Chip Scale Package (CSP)

Package/die stacking technology enhances most aspects of electronic systems such as size, weight, speed, yield, and power consumption.

Chip Scale Packaging (CSP) 3D CSP Stack TSOP D2CSP↗
DOE OSTI2020

Runtime power allocation approach for GAMESS hybrid CPU‐GPU implementation

Summary To improve power consumption of applications at the runtime, modern processors provide frequency scaling capabilities, which along with workload optimization, are also available on GPU accelerators. In this work, a runtime strategy is proposed to distribute a given power allocation among the host components and the GPU according to the current application performance and power usage, such that GPU execution is prioritized over CPU for power allocation to maximize application performance. Next, the strategy is tailored to an application, a quantum‐chemistry package GAMESS for ab initio electronic structure calculations. Specifically, GAMESS hybrid CPU–GPU implementation as provided in the Libcchem library is considered. Experiments, performed on a 28‐core node with a Kepler GPU, resulted in performance gains of up to 50% under the proposed strategy and the largest power allocation considered here as compared with the scenario when this allocation was equally distributed among the computing‐platform components.

Sundriyal, Vaibhav↗
DOE OSTI2024

Runtime performance of a GAMESS quantum chemistry application offloaded to GPUs

Summary Computational chemistry is at the forefront of solving urgent societal problems, such as polymer upcycling and carbon capture. The complexity of modeling these processes at appropriate length and time scales is mainly manifested in the number and types of chemical species involved in the reactions and may require models of several thousand atoms and large basis sets to accurately capture the chemical complexity and heterogeneity in the physical and chemical processes. The quantum chemistry package General Atomic and Molecular Electronic Structure System (GAMESS) has a wide array of methods that can efficiently and accurately treat complex chemical systems. In this work, we have used the GAMESS Effective Fragment Molecule Orbital (EFMO) method for electronic structure calculation of a challenging mesoporous silica nanoparticle (MSN) model surrounded by about 4700 water molecules to investigate the strong scaling and GPU offloading on hybrid CPU‐GPU nodes. Experiments were performed on the Perlmutter platform at the National Energy Research Scientific Computing Center. Good strong scaling and load balancing have been observed on up to 88 hybrid nodes for different settings of the execution parameters for the calculation considered here. When GPUs are oversubscribed by offloading work from multiple CPU processes, using the NVIDIA multi‐process service (MPS) has consistently reduced time to solution and energy consumed. Additionally, for some configuration parameter settings, oversubscription with MPS improved performance by up to 5.8% over the case without oversubscription.

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

PyQMC : An all-Python real-space quantum Monte Carlo module in PySCF

We describe a new open-source Python-based package for high accuracy correlated electron calculations using quantum Monte Carlo (QMC) in real space: PyQMC. PyQMC implements modern versions of QMC algorithms in an accessible format, enabling algorithmic development and easy implementation of complex workflows. Tight integration with the PySCF environment allows for a simple comparison between QMC calculations and other many-body wave function techniques, as well as access to high accuracy trial wave functions.

Wheeler, William A. (ORCID:0000000283910530)↗