Publications

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In this paper we propose a series of methodologies to address the problems in the NASA Langley Multidisciplinary UQ Challenge. A Bayesian approach is employed to characterize and calibrate the epistemic parameters in problem A, while variance-based global sensitivity analysis is proposed for problem B. For problems C and D we propose nested sampling methods for mixed aleatory-epistemic UQ.

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The availability of efficient algorithms for long-range pairwise interactions is central to the success of numerous applications, ranging in scale from atomic-level modeling of materials to astrophysics. This report focuses on the implementation and analysis of the multilevel summation method for approximating long-range pairwise interactions. The computational cost of the multilevel summation method is proportional to the number of particles, N, which is an improvement over FFTbased methods whos cost is asymptotically proportional to N logN. In addition to approximating electrostatic forces, the multilevel summation method can be use to efficiently approximate convolutions with long-range kernels. As an application, we apply the multilevel summation method to a discretized integral equation formulation of the regularized generalized Poisson equation. Numerical results are presented using an implementation of the multilevel summation method in the LAMMPS software package. Preliminary results show that the computational cost of the method scales as expected, but there is still a need for further optimization.

This report describes work directed towards completion of the Thermal Hydraulics Methods (THM) CFD Level 3 Milestone THM.CFD.P7.05 for the Consortium for Advanced Simulation of Light Water Reactors (CASL) Nuclear Hub effort. The focus of this milestone was to demonstrate the thermal hydraulics and adjoint based error estimation and parameter sensitivity capabilities in the CFD code called Drekar::CFD. This milestone builds upon the capabilities demonstrated in three earlier milestones; THM.CFD.P4.02 [12], completed March, 31, 2012, THM.CFD.P5.01 [15] completed June 30, 2012 and THM.CFD.P5.01 [11] completed on October 31, 2012.

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Early 2010 saw a signi cant change in adversarial techniques aimed at network intrusion: a shift from malware delivered via email attachments toward the use of hidden, embedded hyperlinks to initiate sequences of downloads and interactions with web sites and network servers containing malicious software. Enterprise security groups were well poised and experienced in defending the former attacks, but the new types of attacks were larger in number, more challenging to detect, dynamic in nature, and required the development of new technologies and analytic capabilities. The Hybrid LDRD project was aimed at delivering new capabilities in large-scale data modeling and analysis to enterprise security operators and analysts and understanding the challenges of detection and prevention of emerging cybersecurity threats. Leveraging previous LDRD research e orts and capabilities in large-scale relational data analysis, large-scale discrete data analysis and visualization, and streaming data analysis, new modeling and analysis capabilities were quickly brought to bear on the problems in email phishing and spear phishing attacks in the Sandia enterprise security operational groups at the onset of the Hybrid project. As part of this project, a software development and deployment framework was created within the security analyst work ow tool sets to facilitate the delivery and testing of new capabilities as they became available, and machine learning algorithms were developed to address the challenge of dynamic threats. Furthermore, researchers from the Hybrid project were embedded in the security analyst groups for almost a full year, engaged in daily operational activities and routines, creating an atmosphere of trust and collaboration between the researchers and security personnel. The Hybrid project has altered the way that research ideas can be incorporated into the production environments of Sandias enterprise security groups, reducing time to deployment from months and years to hours and days for the application of new modeling and analysis capabilities to emerging threats. The development and deployment framework has been generalized into the Hybrid Framework and incor- porated into several LDRD, WFO, and DOE/CSL projects and proposals. And most importantly, the Hybrid project has provided Sandia security analysts with new, scalable, extensible analytic capabilities that have resulted in alerts not detectable using their previous work ow tool sets.

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Computational testing of the arbitrary Lagrangian-Eulerian shock physics code, ALEGRA, is presented using an exact solution that is very similar to a shaped charge jet flow. The solution is a steady, isentropic, subsonic free surface flow with significant compression and release and is provided as a steady state initial condition. There should be no shocks and no entropy production throughout the problem. The purpose of this test problem is to present a detailed and challenging computation in order to provide evidence for algorithmic strengths and weaknesses in ALEGRA which should be examined further. The results of this work are intended to be used to guide future algorithmic improvements in the spirit of test-driven development processes.

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