81 research outputs found
Axial focusing of impact energy in the Earth's interior: Proof-of-principle tests of a new hypothesis
A causal link between major impact events and global processes would probably require a significant change in the thermal state of the Earth's interior, presumably brought about by coupling of impact energy. One possible mechanism for such energy coupling from the surface to the deep interior would be through focusing due to axial symmetry. Antipodal focusing of surface and body waves from earthquakes is a well-known phenomenon which has previously been exploited by seismologists in studies of the Earth's deep interior. Antipodal focusing from impacts on the Moon, Mercury, and icy satellites has also been invoked by planetary scientists to explain unusual surface features opposite some of the large impact structures on these bodies. For example, 'disrupted' terrains have been observed antipodal to the Caloris impact basis on Mercury and Imbrium Basin on the Moon. Very recently there have been speculations that antipodal focusing of impact energy within the mantle may lead to flood basalt and hotspot activity, but there has not yet been an attempt at a rigorous model. A new hypothesis was proposed and preliminary proof-of-principle tests for the coupling of energy from major impacts to the mantle by axial focusing of seismic waves was performed. Because of the axial symmetry of the explosive source, the phases and amplitudes are dependent only on ray parameter (or takeoff angle) and are independent of azimuthal angle. For a symmetric and homogeneous Earth, all the seismic energy radiated by the impact at a given takeoff angle will be refocused (minus attenuation) on the axis of symmetry, regardless of the number of reflections and refractions it has experienced. Mantle material near the axis of symmetry will experience more strain cycles with much greater amplitude than elsewhere and will therefore experience more irreversible heating. The situation is very different than for a giant earthquake, which in addition to having less energy, has an asymmetric focal mechanism and a larger area. Two independent proof-of-principle approaches were used. The first makes use of seismic simulations, which are being performed with a realistic Earth model to determine the degree of focusing along the axis and to estimate the volume of material, if any, that experiences significant irreversible heating. The second involves two-dimensional hydrodynamic code simulations to determine the stress history, internal energy, and temperature rise as a function of radius along the axis
Ideas underlying quantification of margins and uncertainties(QMU): a white paper.
This report describes key ideas underlying the application of Quantification of Margins and Uncertainties (QMU) to nuclear weapons stockpile lifecycle decisions at Sandia National Laboratories. While QMU is a broad process and methodology for generating critical technical information to be used in stockpile management, this paper emphasizes one component, which is information produced by computational modeling and simulation. In particular, we discuss the key principles of developing QMU information in the form of Best Estimate Plus Uncertainty, the need to separate aleatory and epistemic uncertainty in QMU, and the risk-informed decision making that is best suited for decisive application of QMU. The paper is written at a high level, but provides a systematic bibliography of useful papers for the interested reader to deepen their understanding of these ideas
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On the role of code comparisons in verification and validation.
This report presents a perspective on the role of code comparison activities in verification and validation. We formally define the act of code comparison as the Code Comparison Principle (CCP) and investigate its application in both verification and validation. One of our primary conclusions is that the use of code comparisons for validation is improper and dangerous. We also conclude that while code comparisons may be argued to provide a beneficial component in code verification activities, there are higher quality code verification tasks that should take precedence. Finally, we provide a process for application of the CCP that we believe is minimal for achieving benefit in verification processes
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ASC Predictive Science Academic Alliance Program Verification and Validation Whitepaper
2-Imino-3-(2-nitrophenyl)-1,3-thiazolidin-4-one
In the title compound, C9H7N3O3S, the nitro and thiazolidinone moieties are inclined with respect to the aromatic ring at dihedral angles of 9.57 (16) and 78.42 (4)°, respectively. In the crystal, N—H⋯O hydrogen bonding connects the molecules along the c and a axes to form a two-dimensional polymeric network. A weak S⋯O interaction [3.2443 (11) Å] and phenyl ring to phenyl ring off-set π⋯π stacking [with centroid–centroid separation of 3.6890 (7) Å and ring slippage of 1.479 Å] link the polymeric chains along the b and a axes, respectively
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Post-processing V&V level II ASC milestone (2360) results.
The 9/30/2007 ASC Level 2 Post-Processing V&V Milestone (Milestone 2360) contains functionality required by the user community for certain verification and validation tasks. These capabilities include loading of edge and face data on an Exodus mesh, run-time computation of an exact solution to a verification problem, delivery of results data from the server to the client, computation of an integral-based error metric, simultaneous loading of simulation and test data, and comparison of that data using visual and quantitative methods. The capabilities were tested extensively by performing a typical ALEGRA HEDP verification task. In addition, a number of stretch criteria were met including completion of a verification task on a 13 million element mesh
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Toward a more rigorous application of margins and uncertainties within the nuclear weapons life cycle : a Sandia perspective.
This paper presents the conceptual framework that is being used to define quantification of margins and uncertainties (QMU) for application in the nuclear weapons (NW) work conducted at Sandia National Laboratories. The conceptual framework addresses the margins and uncertainties throughout the NW life cycle and includes the definition of terms related to QMU and to figures of merit. Potential applications of QMU consist of analyses based on physical data and on modeling and simulation. Appendix A provides general guidelines for addressing cases in which significant and relevant physical data are available for QMU analysis. Appendix B gives the specific guidance that was used to conduct QMU analyses in cycle 12 of the annual assessment process. Appendix C offers general guidelines for addressing cases in which appropriate models are available for use in QMU analysis. Appendix D contains an example that highlights the consequences of different treatments of uncertainty in model-based QMU analyses
Clar's Theory, STM Images, and Geometry of Graphene Nanoribbons
We show that Clar's theory of the aromatic sextet is a simple and powerful
tool to predict the stability, the \pi-electron distribution, the geometry, the
electronic/magnetic structure of graphene nanoribbons with different hydrogen
edge terminations. We use density functional theory to obtain the equilibrium
atomic positions, simulated scanning tunneling microscopy (STM) images, edge
energies, band gaps, and edge-induced strains of graphene ribbons that we
analyze in terms of Clar formulas. Based on their Clar representation, we
propose a classification scheme for graphene ribbons that groups configurations
with similar bond length alternations, STM patterns, and Raman spectra. Our
simulations show how STM images and Raman spectra can be used to identify the
type of edge termination
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ALEGRA -- code validation: Experiments and simulations
In this study, the authors are providing an experimental test bed for validating features of the ALEGRA code over a broad range of strain rates with overlapping diagnostics that encompass the multiple responses. A unique feature of the Arbitrary Lagrangian Eulerian Grid for Research Applications (ALEGRA) code is that it allows simultaneous computational treatment, within one code, of a wide range of strain-rates varying from hydrodynamic to structural conditions. This range encompasses strain rates characteristic of shock-wave propagation (10{sup 7}/s) and those characteristic of structural response (10{sup 2}/s). Most previous code validation experimental studies, however, have been restricted to simulating or investigating a single strain-rate regime. What is new and different in this investigation is that the authors have performed well-instrumented experiments which capture features relevant to both hydrodynamic and structural response in a single experiment. Aluminum was chosen for use in this study because it is a well characterized material--its EOS and constitutive material properties are well defined over a wide range of loading rates. The current experiments span strain rate regimes of over 10{sup 7}/s to less than 10{sup 2}/s in a single experiment. The input conditions are extremely well defined. Velocity interferometers are used to record the high strain-rate response, while low strain rate data were collected using strain gauges
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