Publications

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The goal of this one year LDRD was to improve the overall efficiency of InGaN LEDs by improving the extraction of light from the semiconductor chip. InGaN LEDs are currently the most promising technology for producing high efficiency blue and green semiconductor light emitters. Improving the efficiency of InGaN LEDs will enable a more rapid adoption of semiconductor based lighting. In this LDRD, we proposed to develop photonic structures to improve light extraction from nitride-based light emitting diodes (LEDs). While many advanced device geometries were considered for this work, we focused on the use of a photonic crystal for improved light extraction. Although resonant cavity LEDs and other advanced structures certainly have the potential to improve light extraction, the photonic crystal approach showed the most promise in the early stages of this short program. The photonic crystal (PX)-LED developed here incorporates a two dimensional photonic crystal, or photonic lattice, into a nitride-based LED. The dimensions of the photonic crystal are selected such that there are very few or no optical modes in the plane of the LED ('lateral' modes). This will reduce or eliminate any radiation in the lateral direction so that the majority of the LED radiation will be in vertical modes that escape the semiconductor, which will improve the light-extraction efficiency. PX-LEDs were fabricated using a range of hole diameters and lattice constants and compared to control LEDs without a photonic crystal. The far field patterns from the PX-LEDs were dramatically modified by the presence of the photonic crystal. An increase in LED brightness of 1.75X was observed for light measured into a 40 degree emission cone with a total increase in power of 1.5X for an unencapsulated LED.

STDEM is the structured mesh time-domain electromagnetic and plasma physics component of Emphasis/Nevada. This report provides a guide on using STDEM. Emphasis, the electromagnetic physics analysis system, is a suite of codes for the simulation of electromagnetic and plasma physics phenomena. The time-dependent components of Emphasis have been implemented using the Nevada framework [1]. The notation Emphasis/Nevada is used to highlight this relationship and/or distinguish the time-dependent components of Emphasis. In theory the underlying framework should have little influence on the user's interaction with the application. In practice the framework tends to be more invasive as it provides key services such as input parsing and defines fundamental concepts and terminology. While the framework offers many technological advancements from a software development point of view, from a user's perspective the key benefits of the underlying framework are the common interface for all framework physics modules as well as the ability to perform coupled physics simulations. STDEM is the structured time-domain electromagnetic and plasma physics component of Emphasis/Nevada. STDEM provides for the full-wave solution to Maxwell's equations on multi-block three-dimensional structured grids using finite-difference time-domain (FDTD) algorithms. Additionally STDEM provides for the fully relativistic, self-consistent simulation of charged particles using particle-in-cell (PIC) algorithms.

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The shock compaction behavior of a tungsten carbide powder was investigated using a new experimental design for gas-gun experiments. This design allows the Hugoniot properties to be measured with reasonably good accuracy despite the inherent difficulties involved with distended powders. The experiments also provide the first reshock state for the compacted powder. Experiments were conducted at impact velocities of 245, 500, and 711 m/s. A steady shock wave was observed for some of the sample thicknesses, but the remainder were attenuated due to release from the back of the impactor or the edge of the sample. The shock velocity for the powder was found to be quite low, and the propagating shock waves were seen to be very dispersive. The Hugoniot density for the 711 m/s experiment was close to ambient crystal density for tungsten carbide, indicating nearly complete compaction. When compared with quasi-static compaction results for the same material, the dynamic compaction data is seen to be significantly stiffer for the regime over which they overlap. Based on these initial results, recommendations are made for improving the experimental technique and for future work to improve our understanding of powder compaction.

Numerical models of complex phenomena often contain approximations due to our inability to fully model the underlying physics, the excessive computational resources required to fully resolve the physics, the need to calibrate constitutive models, or in some cases, our ability to only bound behavior. Here we illustrate the relationship between approximation, calibration, extrapolation, and model validation through a series of examples that use the linear transient convective/dispersion equation to represent the nonlinear behavior of Burgers equation. While the use of these models represents a simplification relative to the types of systems we normally address in engineering and science, the present examples do support the tutorial nature of this document without obscuring the basic issues presented with unnecessarily complex models.

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The Bryan Mound salt dome, located near Freeport, Texas, is home to one of four underground crude oil-storage facilities managed by the U. S. Department of Energy Strategic Petroleum Reserve (SPR) Program. Sandia National Laboratories, as the geotechnical advisor to the SPR, conducts site-characterization investigations and other longer-term geotechnical and engineering studies in support of the program. This report describes the conversion of two-dimensional geologic interpretations of the Bryan Mound site into three-dimensional geologic models. The new models include the geometry of the salt dome, the surrounding sedimentary units, mapped faults, and the 20 oil-storage caverns at the site. This work provides an internally consistent geologic model of the Bryan Mound site that can be used in support of future work.

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Sandia is undergoing tremendous change. Sandia's executive management recognized the need for leadership development. About ten years ago the Business, Leadership, and Management Development department in partnership with executive management developed and implemented the organizational leadership Success Profile Competencies to help address some of the changes on the horizon such as workforce losses and lack of a skill set in the area of interpersonal skills. This study addresses the need for the Business, Leadership, and Management Development department to provide statistically sound data in two areas. One is to demonstrate that the organizational 360-degree success profile assessment tool has made a difference for leaders. A second area is to demonstrate the presence of high performing leaders at the Labs. The study utilized two tools to address these two areas. Study participants were made up of individuals who have solid data on Sandia's 360-degree success profile assessment tool. The second assessment tool was comprised of those leaders who participated in the Lockheed Martin Corporation Employee Preferences Survey. Statistical data supports the connection between leader indicators and the 360-degree assessment tool. The study also indicates the presence of high performing leaders at Sandia.

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The room-temperature velocity-field characteristics for n-type gallium nitride and AlGaN/GaN heterostructures, grown epitaxially on sapphire, were determined experimentally. A pulsed voltage input and four-point measurements were used on special geometry samples to determine the electron drift velocity as a function of applied electric field in the basal plane. These measurements show apparent saturation velocities near 2.5 x 10{sup 7} cm/s at 180 kV/cm for the n-type gallium nitride and 3.1 x 10{sup 7} cm/s at 140 kV/cm for the AlGaN/GaN heterostructures. A comparison of these studies shows that the experimental velocities are close to previously published simulations based upon Monte Carlo techniques.

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The use of a lower-melting-point molten metal to join metallic components is perhaps the earliest example of processing which employs metallurgical bonding principles, having roots as far back as 4200 BC (Peaslee 2003). More than 6000 years later, brazing occupies a prominent position in our suite of joining processes where it offers cost and/or performance advantages in the fabrication of many structures. More precisely, brazing can be described as the use of a molten filler metal to wet the closely fitting faying surfaces of a joint, leading to formation of metallurgical bonds between the filler metal and substrates. Historically, brazing processes employ filler metals whose solidus temperature exceeds 723 K, as opposed to soldering processes which use lower-melting-point temperature filler materials. In the past several decades, technological advances have facilitated a broadening of applications for brazing while simultaneously contradicting some of the traditional perceptions of the process. However, many of those tenets remain appropriate for the majority of brazing processes and products. Accordingly, this article provides a brief description of traditional brazing and some important factors to be considered when designing and producing brazed structures. An additional section describes the technical advances in the field.

The effect of critical dimension (CD) variation and metallization ratio on the efficiency of energy conversion of a surface acoustic wave (SAW) correlator is examined. We find that a 10% variation in the width of finger electrodes predicts only a 1% decrease in the efficiency of energy conversion. Furthermore, our model predicts that a metallization ratio of 0.74 represents an optimum value for energy extraction from the SAW by the interdigitated transducer (IDT).

While loss of life is the operating concern of Department of Homeland Security (DHS), the security of the economy ultimately decides the success of the war on terrorism. This project focuses on mitigation, containment, response, and impact of terrorist events on the economy. Conventional economic methods are inadequate, but agent-based methods (Discrete Simulation) appears to uniquely capture the dynamics and emergent (human) behaviors.

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Red Storm is a massively parallel processor. The Red Storm design goals are: (1) Balanced system performance - CPU, memory, interconnect, and I/O; (2) Usability - functionality of hardware and software meets needs of users for Massively Parallel Computing; (3)S calability - system hardware and software scale, single cabinet system to {approx} 30,000 processor system; (4) reliability - machines tays up long enough between interrupts to make real progress on completing application run (at least 50 hours MTBI), requires full system RAS capability; (5) Upgradability - system can be upgraded with a processor swap and additional cabinets to 100T or greater; (6) red/black switching - capability to switch major portions of the machine between classified and unclassified computing environments; (7) space, power, cooling - high density, low power system; and (8) price/performance - excellent performance per dollar, use high volume commodity parts where feasible.

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Empirical studies suggest that consumption is more sensitive to current income than suggested under the permanent income hypothesis, which raises questions regarding expectations for future income, risk aversion, and the role of economic confidence measures. This report surveys a body of fundamental economic literature as well as burgeoning computational modeling methods to support efforts to better anticipate cascading economic responses to terrorist threats and attacks. This is a three part survey to support the incorporation of models of economic confidence into agent-based microeconomic simulations. We first review broad underlying economic principles related to this topic. We then review the economic principle of confidence and related empirical studies. Finally, we provide a brief survey of efforts and publications related to agent-based economic simulation.

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Resist substrates used in the LIGA process must provide high initial bond strength between the substrate and resist, little degradation of the bond strength during x-ray exposure, acceptable undercut rates during development, and a surface enabling good electrodeposition of metals. Additionally, they should produce little fluorescence radiation and give small secondary doses in bright regions of the resist at the substrate interface. To develop a new substrate satisfying all these requirements, we have investigated secondary resist doses due to electrons and fluorescence, resist adhesion before exposure, loss of fine features during extended development, and the nucleation and adhesion of electrodeposits for various substrate materials. The result of these studies is a new anodized aluminum substrate and accompanying methods for resist bonding and electrodeposition. We demonstrate successful use of this substrate through all process steps and establish its capabilities via the fabrication of isolated resist features down to 6 {micro}m, feature aspect ratios up to 280 and electroformed nickel structures at heights of 190 to 1400 {micro}m. The minimum mask absorber thickness required for this new substrate ranges from 7 to 15 {micro}m depending on the resist thickness.

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Simulations within density functional theory (DFT) are a common component of research into the physics of materials. With the broad success of DFT, it is easily forgotten that computational DFT methods invariably do not directly represent simulated properties, but require careful construction of models that are computable approximations to a physical property. Perhaps foremost among these computational considerations is the routine use of the supercell approximation to construct finite models to represent infinite systems. Pitfalls in using supercells (k-space sampling, boundary conditions, cell sizes) are often underappreciated. We present examples (e.g. vacancy defects) that exhibit a surprising or significant dependence on supercells, and describe workable solutions. We describe procedures needed to construct meaningful models for simulations of real material systems, focusing on k-space and cell size issues.

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