In September of 2020, dust samples were collected from the surface of spent nuclear fuel (SNF) dry storage canisters during an inspection at an inland Independent Spent Fuel Storage Installation. The purpose of the sampling was to assess the composition and abundance of the soluble salts present on the canister surface, information which provides a metric for potential corrosion risks. The samples were delivered to Sandia National laboratories for analysis. At Sandia, the soluble salts were leached from the dust and quantified by ion chromatography. In addition, subsamples of the dust were taken for scanning electron microscope analysis to determine the texture and mineralogy of the dust and salts. The results of those analyses are presented in this report.
Pulsed power and plasma physics are topics of great study at both Sandia National Laboratories (SNL or Sandia) and the University of New Mexico (UNM). The goal of this research is to further knowledge and understanding of these fields using the resources of both SNL and UNM in three ways. The first way is through the comprehension, application, and testing of theory. Reading and analytically deriving theoretical solutions of problems both real-world and simplified will allow for a fresh perspective and the furthering of the theory. One such theory is Ottinger's generalized theory for voltage measurement in magnetically insulated transmission lines (MITLs). By working through the math, a deeper understanding of the theory is gained from which one may add more physically accurate and/or more detailed physics into the theory. Additionally, understanding the theory lays a good foundation from which one can analyze, test, and compare results to the theory in the following two ways that will advance the fields of pulsed power and plasma physics. The second way is through the modeling and simulation of real-world and simplified problems that utilize and test the afore mentioned theories. Theory can be applied to a simulation domain by using the unstructured time-domain electromagnetic (UTDEM) codes EMPHASIS and EMPIRE as well as the physical modeling software CUBIT, all of which were developed at SNL. Problems such as the modeling and design of the extended MITL on HERMES III, the understanding of space-charge-limited emission from vacuum cathodes, and the interaction between a relativistic electron beam and an ideal gas can all be modeled, simulated, and analyzed with this set of codes. Here the advantage is three-fold. Firstly, theory that describes our understanding of these problems can be put to the test and advanced through iterative simulation and analysis. Secondly, the understanding of these problems will have a positive impact on national security through the advancement of the technological capability of the United States of America. Thirdly, and not unrelated to the prior advantage, is the validation and verification of EMPIRE and EMPHASIS. This segues into the third way, which is through experiment and the comparison of experiment to simulated and theoretical results. Performing experimental comparisons completes the scientific method and grounds all of the work in reality. Being able to physically test theory and simulation is necessary for any real conclusions to be drawn. Another advantage for carrying out experimental work is to advance the physical testing capabilities of SNL. Several systems will be developed and tested through the course of this work that positively impact technological advancement of Sandia National Labs. Lastly, all of the above work will converge to yield a well-rounded perspective that ties the three categories of research together.
Over the past few decades, software has become ubiquitous as it has been integrated into nearly every aspect of society, including household appliances, consumer electronics, industrial control systems, public utilities, government operations, and military systems. Consequently, many critical national security questions can no longer be answered convincingly without understanding software, including its purpose, its capabilities, its flaws, its communication, or how it processes and stores data. As software continues to become larger, more complex, and more widespread, our ability to answer important mission questions and reason about software in a timely way is falling behind. Today, to achieve such understanding of third-party software, we rely predominantly on the ability of reverse engineering experts to manually answer each particular mission question for every software system of interest. This approach often requires heroic human effort that nevertheless fails to meet current mission needs and will never scale to meet future needs. The result is an emerging crisis: a massive and expanding gap between the national security need to answer mission questions about software and our ability to do so. Sandia National Laboratories has established the Rapid Analysis of Mission Software Systems (RAMSeS) effort, a collaborative long-term effort aimed at dramatically improving our nation’s ability to answer mission questions about third-party software by growing an ecosystem of tools that augment the human reverse engineer through automation, interoperability, and reuse. Focusing on static analysis of binary programs, we are attempting to identify reusable software analysis components that advance our ability to reason about software, to automate useful aspects of the software analysis process, and to integrate new methodologies and capabilities into a working ecosystem of tools and experts. We aim to integrate existing tools where possible, adapt tools when modest modifications will enable them to interoperate, and implement missing capability when necessary. Although we do hope to automate a growing set of analysis tasks, we will approach this goal incrementally by assisting the human in an ever-widening range of tasks.
Pyrazole, a member of the structural class of azoles, exhibits molecular properties of interest in pharmaceuticals and materials chemistry, owing to the two adjacent nitrogen atoms in the five-membered ring system. The weakly basic nitrogen atoms of deprotonated pyrazoles have been applied in coordination chemistry, particularly to access coordination polymers and metal-organic frameworks, and homocoupling reactions can in principle provide facile access to bipyrazole ligands. In this context, we summarize recent advances in homocoupling reactions of pyrazoles and other types of azoles (imidazoles, triazoles and tetrazoles) to highlight the utility of homocoupling reactions in synthesizing symmetric bi-heteroaryl systems compared with traditional synthesis. Metal-free reactions and transition-metal catalyzed homocoupling reactions are discussed with reaction mechanisms in detail.
Dynamic grain growth is demonstrated to be much faster than static grain growth in a body-centered-cubic, interstitial-free steel sheet material at 850∘C. Dynamic grain growth occurs during concurrent plastic deformation at elevated temperature, whereas static grain growth occurs during static annealing. Grain growth during steady-state plastic flow in tension at 850∘C to a true strain of 0.2 at a true-strain rate of 10 - 4 s - 1 doubled grain size, while static annealing for the same time produced no increase in grain size. This is described as dynamic normal grain growth (DNGG) because no abnormally large grains were observed. The recrystallized microstructure of the steel demonstrated a log-normal distribution of grain sizes. DNGG produced bimodal grain size distributions that deviate from the theoretical expectation of a simple shift to larger sizes during normal growth. The bimodal distributions contained a remnant of small grains that were not consumed during grain growth. DNGG produced a crystallographic texture that is unique from both the recrystallized material and that produced by lattice rotation alone. DNGG strengthened the { 111 } ⟨ 110 ⟩ and { 111 } ⟨ 112 ⟩ components of the strong γ-fiber component in the original recrystallization texture. Lattice rotation from tensile deformation, by contrast, strengthened the α-fiber components that intersect the original γ-fiber.
The fatigue strength of additively manufactured metallic parts in their as-built surface condition is mainly dominated by the surface roughness. Post-processing is often inevitable to reduce surface roughness effects even though post-processing diminishes the main advantage of additive manufacturing, which is net-shaped direct-to-service production. This study investigates the underlying mechanisms responsible for fatigue failure of additively manufactured 304L stainless steel parts in as-built and machined/polished surface conditions. Both strain- and force-controlled, fully reversed fatigue tests were conducted to gain a comprehensive understanding of surface roughness effects on fatigue behavior. The sensitivity to surface roughness is shown to be dependent on the control mode, with stress-based fatigue tests showing greater sensitivity than strain-based fatigue tests. Moreover, the fatigue life estimation for as-built specimens was performed based on surface roughness parameters as well as the fatigue properties of the specimens in machined/polished surface condition of the material without using any fatigue data of specimens in as-built surface condition. Accordingly, the effect of surface roughness on the fatigue behavior could be estimated reasonably well in both strain-life and stress-life approaches.
We present in this paper the results from a recent study on the stability of the quantum Hall skyrmions state at a Landau level filling factor (ν) close to ν = 1 in a narrow GaAs quantum well. Consistent with previous work, a resonant behavior is observed in the resistively detected NMR measurements. In the subsequent current-voltage (I-V) measurements to examine its breakdown behavior under radio frequency radiations, we observe that the critical current assumes the largest value right at the 75As nuclear resonant frequency. We discuss possible origin for this unexpectedly enhanced stability.
Due to a stress redistribution after the excavation of an underground tunnel for radioactive waste disposal, an Ed/DZ (excavation disturbed/damaged zone) will be generated in the near field of the opening, resulting in significant changes in the hydraulic and mechanical properties of the rock mass in the zone. Initially more or less randomly distributed hydrocarbons at grain boundaries in rock salt, which sometimes can only be observed with ultraviolet light, can then be mobilised and migrate at a potentially significant rate towards the excavation. Within the international cooperative project DECOVALEX 2019, the migration mechanism of such fluid inclusions in rock salt is being studied intensively. A multi-scale modelling strategy has been developed. A macroscale coupled hydro-mechanical modelling of an underground excavation was performed to determine hydraulic and time-dependent deviatoric stress conditions, by taking into account the rock salt creep behaviour. Under the obtained macro-scale constraints, micro-scale modelling of a pathway dilation along halite grain boundaries was performed using different model strategies: a) coupled hydromechanical modelling with a consideration of hydraulic pressure-induced dilatant deformation, b) nonlinear dynamic model taking account of fluid migration, stress-dependent grain boundary wetting and shear-induced dilatancy of salt, and c) phase-field modelling of flow pathway propagation. The permeability increase resulting from the pathway dilation is estimated to be as high as two orders of magnitude. Based on the permeability determined, a series of pressure build-ups measured from a borehole with a high hydrocarbon release rate, a total of 430 build-ups within a monitoring time of 938 days, can be simulated with a macro-scale compressible flow model accounting for different zones around the opening.
We have derived a gas ingress and egress equation from the first principles of ideal gases. This work is intended to benefit the hermetic microelectronics packaging community, but it may be applied to other fields that require a deep understanding of gas ingress and egress dynamics. The equation outlined herein encompasses package material properties, package characteristics, hermetic testing conditions, and service conditions. It serves as a practical utility for calculating package pressure changes due to gas ingress and egress and, therefore, a power tool for component and system service life predictions.
Orthorhombic RMnO3 (R = rare-earth cation) compounds are type-II multiferroics induced by inversion-symmetry-breaking of spin order. They hold promise for magneto-electric devices. However, no spontaneous room-temperature ferroic property has been observed to date in orthorhombic RMnO3. Here, using 3D straining in nanocomposite films of (SmMnO3)0.5((Bi,Sm)2O3)0.5, we demonstrate room temperature ferroelectricity and ferromagnetism with TC,FM ~ 90 K, matching exactly with theoretical predictions for the induced strain levels. Large in-plane compressive and out-of-plane tensile strains (−3.6% and +4.9%, respectively) were induced by the stiff (Bi,Sm)2O3 nanopillars embedded. The room temperature electric polarization is comparable to other spin-driven ferroelectric RMnO3 films. Also, while bulk SmMnO3 is antiferromagnetic, ferromagnetism was induced in the composite films. The Mn-O bond angles and lengths determined from density functional theory explain the origin of the ferroelectricity, i.e. modification of the exchange coupling. Our structural tuning method gives a route to designing multiferroics.
A 250kW hydrogen electrolysis facility was recently installed at the Natural Energy Laboratory of Hawaii Authority's (NELHA's) campus. This facility that will begin operation in 2020 to produce hydrogen for fuel cell buses on the island to demonstrate of the application of hydrogen to decarbonize transportation. Given the size of the electrolysis station, it has the potential to significantly increase electricity costs for the campus, which is subject to energy and peak demand charges from the local utility. In this paper, we analyze the cost of hydrogen production at NELHA given the rate structure options available from the utility. Production costs are estimated using optimal versus constant scheduling of the facility to meet the buses’ demand. A model of the electrolysis station is used to capture changes in production efficiency over the power range in the optimization routine. The effects of combining the station and campus load versus standalone operation and increasing solar generation are also explored. The analyses surrounding this scenario show the importance of multiple factors on the potential profitability of hydrogen production in behind-the-meter applications and show trends that could have implications for other similar installations.
Understanding the mechanistic relationship between the environment, microstructure, and local kinetics of atmospheric corrosion damage remains a central challenge. To address this challenge, this study used laboratory-based X-ray tomography to directly observe attack in-operando over an extended period, enabling insights into the evolving growth kinetics and morphology of individual pits over months of exposure. Damage progression associated with nine pits in a 99.9% pure aluminum wire exposed to chloride salts in humid air was characterized. Most pits grew at a nominally linear rate up until pit death, which occurred within 12–24 h of nucleation. Exceptions to this were observed, with three pits exhibiting bimodal growth kinetics and growing for 40 or more hours. This was explained by secondary droplets that formed near the pits, increasing the cathode area. A corrosion-driven drying mechanism likely contributed to pit death in both cases. Pits first grew into the material followed by lateral expansion.
We present evidence of inverse Hall-Petch behavior for a single-phase high entropy alloy (CoCrFeMnNi) in ultra-high vacuum and show that it is associated with low friction coefficients (~0.3). Grain size measurements by STEM validate a recently proposed dynamic amorphization model that accurately predicts grain size-dependent shear strength in the inverse Hall-Petch regime. Wear rates in the initially soft (coarse grained) material were shown to be remarkably low (~10–6 mm3/N-m), the lowest for any HEA tested in an inert environment where oxidation and the formation of mixed metal-oxide films is mitigated. The combined high wear resistance and low friction are linked to the formation of an ultra-nanocrystalline near-surface layer. The dynamic amorphization model was also used to predict an average high angle grain boundary energy (0.87 J/m2). This value was used to explain cavitation-induced nanoporosity found in the highly deformed surface layer, a phenomenon that has been linked to superplasticity.
Journal of Physics B: Atomic, Molecular and Optical Physics
Chauhan, Dhaval; Limbachiya, Chetan G.; Tokesi, Karoly; Champion, Christophe; Weck, Philippe F.; Tribedi, Lokesh C.
We report the measurement of the absolute double differential cross sections (DDCS) of secondary electrons emitted due to the ionization of N2 molecule in collisions with fast electrons having energies between 3 and 5 keV. The emitted electrons with energies from 1-500 eV have been measured for different forward and backward emission angles. The measured DDCS have been compared with the state-of-the-art first Born approximation with correct boundary condition (CB1) model calculations as well as with the classical trajectory Monte Carlo (CTMC) method. From the measured DDCS, the single differential cross sections (SDCS) as a function of the emission energies have been computed and eventually the total ionization cross sections (TCS) have been derived. The TCS values are also compared with a semi-empirical calculation, namely, the CSP-ic (complex scattering potential-ionization contribution) model.
Dynamic instability of microtubules is characterized by stochastically alternating phases of growth and shrinkage and is hypothesized to be controlled by the conformation and nucleotide state of tubulin dimers within the microtubule lattice. Specifically, conformation changes (compression) in the tubulin dimer following the hydrolysis of GTP have been suggested to generate stress and drive depolymerization. In the present study, molecular dynamics simulations were used in tandem with in vitro experiments to investigate changes in depolymerization based on the presence of islands of uncompressed (GMPCPP) dimers in the microtubule lattice. Both methods revealed an exponential decay in the kinetic rate of depolymerization corresponding to the relative level of uncompressed (GMPCPP) dimers, beginning at approximately 20% incorporation. This slowdown was accompanied by a distinct morphological change from unpeeling “ram’s horns” to blunt-ended dissociation at the microtubule end. Collectively these data demonstrated that islands of uncompressed dimers can alter the mechanism and kinetics of depolymerization in a manner consistent with promoting rescue events.
Parallel implementations of linear iterative solvers generally alternate between phases of data exchange and phases of local computation. Increasingly large problem sizes and more heterogeneous compute architectures make load balancing and the design of low latency network interconnects that are able to satisfy the communication requirements of linear solvers very challenging tasks. In particular, global communication patterns such as inner products become increasingly limiting at scale. We explore the use of asynchronous communication based on one-sided Message Passing Interface primitives in the context of domain decomposition solvers. In particular, a scalable asynchronous two-level Schwarz method is presented. We discuss practical issues encountered in the development of a scalable solver and show experimental results obtained on a state-of-the-art supercomputer system that illustrate the benefits of asynchronous solvers in load balanced as well as load imbalanced scenarios. Using the novel method, we can observe speedups of up to four times over its classical synchronous equivalent.
The failure forces and fracture strengths of polysilicon microelectromechanical system (MEMS) components in the form of stepped tensile bars with shoulder fillets were measured using a sequential failure chain methodology. Approximately 150 specimens for each of four fillet geometries with different stress concentration factors were tested. The resulting failure force and strength distributions of the four geometries were related by a common sidewall flaw population existing within different effective stressed lengths. The failure forces, strengths, and flaw population were well described by a weakest-link based analytical framework. Finite element analysis was used to verify body-force based expressions for the stress concentration factors and to provide insight into the variation of specimen effective length with fillet geometry. Monte Carlo simulations of flaw size and location, based on the strength measurements, were also used to provide insight into fillet shape and size effects. The successful description of the shoulder fillet specimen strengths provides further empirical support for application of the strength and flaw framework in MEMS fabrication and design optimization.
Our ability to shape and finish a component by combined methods of fabrication including (but not limited to) subtractive, additive, and/or no theoretical mass-loss/addition during the fabrication is now popularly known as solid freeform fabrication (SFF). Fabrication of a telescope mirror is a typical example where grinding and polishing processes are first applied to shape the mirror, and thereafter, an optical coating is usually applied to enhance its optical performance. The area of nanomanufacturing cannot grow without a deep knowledge of the fundamentals of materials and consequently, the use of computer simulations is now becoming ubiquitous. This article is intended to highlight the most recent advances in the computation benefit specific to the area of precision SFF as these systems are traversing through the journey of digitalization and Industry-4.0. Specifically, this article demonstrates that the application of the latest materials modelling approaches, based on techniques such as molecular dynamics, are enabling breakthroughs in applied precision manufacturing techniques.
One of the most severe obstacles to increasing the longevity of tungsten-based plasma facing components, such as divertor tiles, is the surface deterioration driven by sub-surface helium bubble formation and rupture. Supported by experimental observations at PISCES, this work uses molecular dynamics simulations to identify the microscopic mechanisms underlying suppression of helium bubble formation by the introduction of plasma-borne beryllium. Simulations of the initial surface material (crystalline W), early-time Be exposure (amorphous W-Be) and final WBe2 intermetallic surfaces were used to highlight the effect of Be. Significant differences in He retention, depth distribution and cluster size were observed in the cases with beryllium present. Helium resided much closer to the surface in the Be cases with nearly 80% of the total helium inventory located within the first 2 nm. Moreover, coarsening of the He depth profile due to bubble formation is suppressed due to a one-hundred fold decrease in He mobility in WBe2, relative to crystalline W. This is further evidenced by the drastic reduction in He cluster sizes even when it was observed that both the amorphous W-Be and WBe2 intermetallic phases retain nearly twice as much He during cumulative implantation studies.
Cathodic kinetics in magnesium chloride (MgCl2) solutions were investigated on platinum (Pt) and stainless steel 304 L (SS304 L). Density, viscosity, and dissolved oxygen concentration for MgCl2 solutions were also measured. A 2-electron transfer for oxygen reduction reaction (ORR) on Pt was determined using a rotating disk electrode. SS304 L displayed non-Levich behavior for ORR and, due to ORR suppression and buffering of near surface pH by Mg-species precipitation, the primary cathodic reaction was the hydrogen evolution reaction (HER) in saturated MgCl2. Furthermore, non-carbonate precipitates were found to be kinetically favored. Implications of HER are discussed through atmospheric corrosion and stress corrosion cracking.
Optical polarizers encompass a class of anisotropic materials that pass-through discrete orientations of light and are found in wide-ranging technologies, from windows and glasses to cameras, digital displays and photonic devices. The wire-grids, ordered surfaces, and aligned nanomaterials used to make polarized films cannot be easily reconfigured once aligned, limiting their use to stationary cross-polarizers in, for example, liquid crystal displays. Here we describe a supramolecular material set and patterning approach where the polarization angle in stand-alone films can be precisely defined at the single pixel level and reconfigured following initial alignment. This capability enables new routes for non-binary information storage, retrieval, and intrinsic encryption, and it suggests future technologies such as photonic chips that can be reconfigured using non-contact patterning.
Lozanovski, Bill; Downing, David; Tino, Rance; Du Plessis, Anton; Tran, Phuong; Jakeman, John D.; Shidid, Darpan; Emmelmann, Claus; Qian, Ma; Choong, Peter; Brandt, Milan; Leary, Martin
Additive Manufacturing (AM), commonly referred to as 3D printing, offers the ability to not only fabricate geometrically complex lattice structures but parts in which lattice topologies in-fill volumes bounded by complex surface geometries. However, current AM processes produce defects on the strut and node elements which make up the lattice structure. This creates an inherent difference between the as-designed and as-fabricated geometries, which negatively affects predictions (via numerical simulation) of the lattice's mechanical performance. Although experimental and numerical analysis of an AM lattice's bulk structure, unit cell and struts have been performed, there exists almost no research data on the mechanical response of the individual as-manufactured lattice node elements. This research proposes a methodology that, for the first time, allows non-destructive quantification of the mechanical response of node elements within an as-manufactured lattice structure. A custom-developed tool is used to extract and classify each individual node geometry from micro-computed tomography scans of an AM fabricated lattice. Voxel-based finite element meshes are generated for numerical simulation and the mechanical response distribution is compared to that of the idealised computer-aided design model. The method demonstrates compatibility with Uncertainty Quantification methods that provide opportunities for efficient prediction of a population of nodal responses from sampled data. Overall, the non-destructive and automated nature of the node extraction and response evaluation is promising for its application in qualification and certification of additively manufactured lattice structures.
Driscoll, Darren M.; Dandu, Naveen K.; Hahn, Nathan T.; Seguin, Trevor J.; Persson, Kristin A.; Zavadil, Kevin R.; Curtiss, Larry A.; Balasubramanian, Mahalingam
Ca-ion electrochemical systems have been pushed to the forefront of recent multivalent energy storage advances due to their use of earth-abundant redox materials and their high theoretical specific densities in relation to monovalent or even other more widely explored multivalent-charge carriers. However, significant pitfalls in metal plating and stripping arise from electrolyte decomposition and can be related to the coordination environment around Ca2+ with both the negatively charged anion and the organic-aprotic solvent. In this study, we apply multiple spectroscopic techniques in conjunction with density functional theory to evaluate the coordination environment of Ca2+ across a class of ethereal solvents. Through the combination of X-ray absorption fine structure and time-dependent density functional theory, descriptive measures of the local geometry, coordination, and electronic structure of Ca-ethereal complexes provide distinct structural trends depending on the extent of the Ca2+-solvent interaction. Finally, we correlate these findings with electrochemical measurements of calcium tetrakis(hexafluoroisopropoxy)borate (CaBHFIP2) salts dissolved within this class of solvents to provide insight into the preferred structural configuration of Ca2+ electrolytic solutions for optimized electrochemical plating and stripping.
This paper presents a topology optimization formulation for frequency-domain dynamics to reduce solution dependence upon initial guess and considered loading conditions. Due to resonance phenomena in undamped steady-state dynamics, objectives measuring dynamic response possess many local minima that may represent poor solutions to a design problem, an issue exacerbated for design with respect to multiple frequencies. We propose an extension of the modified error-in-constitutive-equations (MECE) method, used previously in material identification inverse problems, as a new approach for frequency-domain dynamics topology optimization to mitigate these issues. The main idea of the proposed framework is to incorporate an additional penalty-like term in the objective function that measures the discrepancy in the constitutive relations between stresses and strains and between inertial forces and displacements. Then, the design problem is cast within a PDE-constrained optimization formulation in which we seek displacements, stresses, inertial forces, and a density-field solution that minimize our new objective subject to conservation of linear momentum plus some additional constraints. We show that this approach yields superior designs to conventional gradient-based optimization approaches that solely use a functional of displacements as the objective, while strictly enforcing the constitutive equations. The MECE strategy integrates into a density-based topology optimization scheme for void–solid or two-phase material structural design. We highlight the merits of our approach in a variety of scenarios for direct frequency response design, considering multiple frequency load cases and structural objectives.
This report details work to study trade-offs in topology and network bandwidth for potential interconnects in the exascale (2021-2022) timeframe. The work was done using multiple interconnect models across two parallel discrete event simulators. Results from each independent simulator are shown and discussed and the areas of agreement and disagreement are explored.
Existing communication protocols in high consequence security networks are highly centralized. While this naively makes the controls easier to physically secure, external actors require fewer resources to disrupt the system because there are fewer points in the system can be destroyed or interrupted without the entire system failing. We present a solution to this problem using a proof-of-work-based blockchain implementation built on MultiChain. We construct a test-bed network containing two types of data input: visual imagers and microwave sensor information. These data types are ubiquitous in perimeter intrusion detection security systems and allow a realistic representation of a real-world network architecture. The cameras in this system use an object detection algorithm to nd important targets in the scene. The raw data from the camera and the outputs from the detection algorithm are then placed in a transaction on the distributed ledger. Similarly, microwave data is used to detect relevant events and are placed in a transaction. These transactions are then bundled into blocks and broadcast to the rest of the network using the Bitcoin-based MultiChain protocol. We develop five tests to examine the security metrics of our network. We performed the five security metric test using different sized networks from 7 to 39 nodes to determine how the metrics scale with respect to size. We nd that when compared to a centralized architecture our implementation provides a resiliency increase that is expected from a blockchain-based protocol without slowing the system so much that a human operator would notice. Furthermore, our approach is able to detect tampering in real time. Based on these results, we theorize that security networks in general could use a blockchain-based approach in a meaningful way.
In this work, we have studied the pressure-induced structural and electronic phase transitions in WO3 to 60 GPa using micro-Raman spectroscopy, synchrotron X-ray diffraction, and electrical resistivity measurements. The results indicate that WO3 undergoes a series of phase transitions with increasing pressure: triclinic WO3-I initially transforms to monoclinic WO3-II (P21/c) at 1 GPa, involving a tetrahedral distortion in a corner-shared octahedral framework, and then to a mixed corner and edge-shared seven-coordinated WO3-III (P21/c) at 27 GPa with a large volume change of ~6% and further to WO3-IV (Pc) above 37 GPa. These structural phase transitions also accompany a significant drop in resistivity from insulating WO3-I to semiconducting WO3-II, and poor metallic WO3-III and IV, arising from the Jahn–Teller distortion in WO6 and the hybridization between O 2p and W 5d orbitals in WO7, respectively. Unlike its molecular analogue of MoO3, the transitions in WO3 show little effect on the use of different pressure transmitting media.
In support of analyst requests for Mobile Guardian Transport studies, researchers at Sandia National Laboratories have expanded data types for the Slycat ensemble-analysis and visualization tool to include 3D surface meshes. This new capability represents a significant advance in our ability to perform detailed comparative analysis of simulation results. Analyzing mesh data rather than images provides greater flexibility for post-processing exploratory analysis.
With the growing number of applications designed for heterogeneous HPC devices, application programmers and users are finding it challenging to compose scalable workflows as ensembles of these applications, that are portable, performant and resilient. The Kokkos C++ library has been designed to simplify this cumbersome procedure by providing an intra-application uniform programming model and portable performance. However, assembling multiple Kokkos-enabled applications into a complex workflow is still a challenge. Although Kokkos enables a uniform programming model, the inter-application data exchange still remains a challenge from both performance and software development cost perspectives. In order to address this issue, we propose a Kokkos-DataSpaces Integration, with the goal of providing a virtual shared-space abstraction that can be accessed concurrently by all applications in an Kokkos workflow, thus extending Kokkos to support inter-application data exchange.
A collection of x-ray computed tomography scans of Myotis keaysi pilosotibialis specimens from Texas A&Ms Biodiveristy Research and Teaching Collections.
A team at Sandia National Laboratories (SNL) recognized the growing need to maintain and organize the internal community of Techno - Economic Assessment analysts at the lab . To meet this need, an internal core team identified a working group of experienced, new, and future analysts to: 1) document TEA best practices; 2) identify existing resources at Sandia and elsewhere; and 3) identify gaps in our existing capabilities . Sandia has a long history of using techno - economic analyses to evaluate various technologies , including consideration of system resilience . Expanding our TEA capabilities will provide a rigorous basis for evaluating science, engineering and technology - oriented projects, allowing Sandia programs to quantify the impact of targeted research and development (R&D), and improving Sandia's competitiveness for external funding options . Developing this working group reaffirms the successful use of TEA and related techniques when evaluating the impact of R&D investments, proposed work, and internal approaches to leverage deep technical and robust, business - oriented insights . The main findings of this effort demonstrated the high - impact TEA has on future cost, adoption for applications and impact metric forecasting insights via key past exemplar applied techniques in a broad technology application space . Recommendations from this effort include maintaining and growing the best practices approaches when applying TEA, appreciating the tools (and their limits) from other national laboratories and the academic community, and finally a recognition that more proposals and R&D investment decision s locally at Sandia , and more broadly in the research community from funding agencies , require TEA approaches to justify and support well thought - out project planning.