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At least 145 records · Page 8

On Developing a Taxonomy for Multidisciplinary Design Optimization: A Decision-Based Perspective

In this paper, we approach MDO from a Decision-Based Design (DBD) perspective and explore classification schemes for designing complex systems and processes. Specifically, we focus on decisions, which are only a small portion of the Decision Support Problem (DSP) Technique, our implementation of DBD. We map coupled nonhierarchical and hierarchical representations from the DSP Technique into the Balling-Sobieski (B-S) framework (Balling and Sobieszczanski-Sobieski, 1994), and integrate domain-independent linguistic terms to complete our taxonomy. Application of DSPs to the design of complex, multidisciplinary systems include passenger aircraft, ships, damage tolerant structural and mechanical systems, and thermal energy systems. In this paper we show that Balling-Sobieski framework is consistent with that of the Decision Support Problem Technique through the use of linguistic entities to describe the same type of formulations. We show that the underlying linguistics of the solution approaches are the same and can be coalesced into a homogeneous framework with which to base the research, application, and technology MDO upon. We introduce, in the Balling-Sobieski framework, examples of multidisciplinary design, namely, aircraft, damage tolerant structural and mechanical systems, and thermal energy systems.

Lewis, Kemper↗

Performance evaluation and geologic utility of LANDSAT-4 thematic mapper data

The overall objective of the project was to evaluate LANDSAT-4 Thematic Mapper (TM) data in the context of geologic applications. This involved a quantitative assessment of the data quality including the spatial and spectral characteristics realized by the instrument. Three test sites were selected for the study: (1) Silver Bell, Arizona; (2) Death Valley, California; and (3) Wind River/Bighorn Basin area, Wyoming. Conclusions include: (1) Artificial and natural targets can be used to atmospherically calibrate TM data and investigate scanner radiometry, atmospheric parameters, and construction of atmospheric Modulation Transfer Functions (MTF's), (2) No significant radiometric degradation occurs in TM data as a result of SCROUNGE processing; however, the data exhibit narrow digital number (DN) distributiosn suggesting that the configuration of the instrument is not optimal for each science applications, (30 Increased spatial resolution, 1:24,000 enlargement capability, and good geometric fidelity of TM data allow accurate photogeologic/geomorphic mapping, including relative age dating of alluvial fans, measurement of structural and bedding attitudes, and construction of such things as structural cross sections and stratigraphic columns. (4) TM bands 5 and 7 are particularly useful for geologic applications because they span a region of the spectrum not previously sampled by multispectral scanner data and are important for characterizing clay and carbonate materials.

Paylor, E. D.↗

Implementation of ADI: Schemes on MIMD parallel computers

In order to simulate the effects of the impingement of hot exhaust jets of High Performance Aircraft on landing surfaces a multi-disciplinary computation coupling flow dynamics to heat conduction in the runway needs to be carried out. Such simulations, which are essentially unsteady, require very large computational power in order to be completed within a reasonable time frame of the order of an hour. Such power can be furnished by the latest generation of massively parallel computers. These remove the bottleneck of ever more congested data paths to one or a few highly specialized central processing units (CPU's) by having many off-the-shelf CPU's work independently on their own data, and exchange information only when needed. During the past year the first phase of this project was completed, in which the optimal strategy for mapping an ADI-algorithm for the three dimensional unsteady heat equation to a MIMD parallel computer was identified. This was done by implementing and comparing three different domain decomposition techniques that define the tasks for the CPU's in the parallel machine. These implementations were done for a Cartesian grid and Dirichlet boundary conditions. The most promising technique was then used to implement the heat equation solver on a general curvilinear grid with a suite of nontrivial boundary conditions. Finally, this technique was also used to implement the Scalar Penta-diagonal (SP) benchmark, which was taken from the NAS Parallel Benchmarks report. All implementations were done in the programming language C on the Intel iPSC/860 computer.

Vanderwijngaart, Rob F.↗

Adaptive Bio-Inspired Wireless Network Routing for Planetary Surface Exploration

Wireless mobile networks suffer connectivity loss when used in a terrain that has hills, and valleys when line of sight is interrupted or range is exceeded. To resolve this problem and achieve acceptable network performance, we have designed an adaptive, configurable, hybrid system to automatically route network packets along the best path between multiple geographically dispersed modules. This is very useful in planetary surface exploration, especially for ad-hoc mobile networks, where computational devices take an active part in creating a network infrastructure, and can actually be used to route data dynamically and even store data for later transmission between networks. Using inspiration from biological systems, this research proposes to use ant trail algorithms with multi-layered information maps (topographic maps, RF coverage maps) to determine the best route through ad-hoc network at real time. The determination of best route is a complex one, and requires research into the appropriate metrics, best method to identify the best path, optimizing traffic capacity, network performance, reliability, processing capabilities and cost. Real ants are capable of finding the shortest path from their nest to a food source without visual sensing through the use of pheromones. They are also able to adapt to changes in the environment using subtle clues. To use ant trail algorithms, we need to define the probability function. The artificial ant is, in this case, a software agent that moves from node to node on a network graph. The function to calculate the fitness (evaluate the better path) includes: length of the network edge, the coverage index, topology graph index, and pheromone trail left behind by other ant agents. Each agent modifies the environment in two different ways: 1) Local trail updating: As the ant moves between nodes it updates the amount of pheromone on the edge; and 2) Global trail updating: When all ants have completed a tour the ant that found the shortest route updates the edges in its path.

Alena, Richard I.↗

Data-Analysis System for Entry, Descent, and Landing

A report describes the Entry Descent Landing Data Analysis (EDA), which is a system of signal-processing software and computer hardware for acquiring status data conveyed by multiple-frequency-shift-keying tone signals transmitted by a spacecraft during descent to the surface of a remote planet. The design of the EDA meets the challenge of processing weak, fluctuating signals that are Doppler-shifted by amounts that are only partly predictable. The software supports both real-time and post processing. The software performs fast-Fourier-transform integration, parallel frequency tracking with prediction, and mapping of detected tones to specific events. The use of backtrack and refinement parallel-processing threads helps to minimize data gaps. The design affords flexibility to enable division of a descent track into segments, within each of which the EDA is configured optimally for processing in the face of signal conditions and uncertainties. A dynamic-lock-state feature enables the detection of signals using minimum required computing power less when signals are steadily detected, more when signals fluctuate. At present, the hardware comprises eight dual-processor personal-computer modules and a server. The hardware is modular, making it possible to increase computing power by adding computers.

Pham, Timothy↗

Use of the Manuela 3D/Radiation Scanning Tool at Nuclear Facilities - 20437

Licensees, facility operators and decommissioning contractors have a need for comprehensive, accurate and precise radiological and topographical data to plan and execute safe and efficient Decontamination and Decommissioning (D and D) projects. Traditional approaches rely greatly upon labor and administratively intensive data collection methods that require considerable time and effort to glean the relevant data to plan and perform work in a radiological work area. Orano Decommissioning Services has developed and utilized at French nuclear facilities a lightweight portable scanning instrument called MANUELA (Mobile Apparatus for Nuclear Expertise Localization Assistance). Recently Orano conducted demonstrations at two United States nuclear facilities using MANUELA that may prove useful in areas of the fuel cycle including: - ALARA (As Low As Reasonably Achievable) planning during facility operations; - Scoping and site characterization during the D and D planning phase; - Remedial action support during active decommissioning work; - Radiation and modeling planning for plant modifications; - Support Final Status Survey and demonstration of 'end state' compliance for license termination. MANUELA is currently being evaluated for use during decommissioning of nuclear facilities and could aide in demonstrating compliance with end state criteria after decommissioning. Of particular interest are decommissioning projects planned for various sites across the United States. Most of these sites present unique challenges and opportunities to safely and efficiently decommission in a regulatory compliant manner. The two demonstration site's current conditions of relatively low radiation levels inside containment proved to be ideal platforms to deploy the MANUELA instrument for evaluation of the complex geometries typically found in a nuclear facility. The MANUELA instrument was able to precisely identify local hot spots of the reactor system's primary equipment and was able to simultaneously overlay the dose information onto the scanned 3D images. Using data like this, a licensee would be able to make informed technical and personnel decisions on methods to remediate, shield or properly dispose of the radioactive source term. MANUELA can be used throughout the decommissioning process to validate progress and continue to refine the work activities to optimize the efforts of the crew which reduces downtime waiting for survey results, whereas traditional survey methodology relies on a physical survey to be performed and the data transcribed onto survey maps that are only two dimensional. The traditional format tends to be inaccurate and difficult to interpret the precise location(s) of hot spots or generalized dose rates. The resultant scan also allows the user to know the exact extent of the survey versus transposing information onto a map with only a portion of the map area scanned. MANUELA also compiles all of the relevant survey data into a downloadable table format which includes the measurement identification number, time stamp, point space location on the XYZ plane, and the dose rate value. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Biweekly Maps of Wind Stress for the North Pacific from the ERS-1 Scatterometer

The European Remote-sensing Satellite (ERS-1) was launched in July 1991 and contained several instruments for observing the Earth's ocean including a wind scatterometer. The scatterometer measurements were processed by the European Space Agency (ESA) and the Jet Propulsion Laboratory (JPL). JPL reprocessed (Freilich and Dunbar, 1992) the ERS-1 backscatter measurements to produced a 'value added' data set that contained the ESA wind vector as well as a set of up to four ambiguities. These ambiguities were further processed using a maximum-likelihood estimation (MLE) and a median filter to produce a 'selected vector.' This report describes a technique developed to produce time-averaged wind field estimates with their expected errors using only scatterometer wind vectors. The processing described in this report involved extracting regions of interest from the data tapes, checking the quality and creating the wind field estimate. This analysis also includes the derivation of biweekly average wind vectors over the North Pacific Ocean at a resolution of 0.50 x 0.50. This was done with an optimal average algorithm temporally and an over-determined biharmonic spline spatially. There have been other attempts at creating gridded wind files from ERS-1 winds, e.g., kriging techniques (Bentamy et al., 1996) and successive corrections schemes (Tang and Liu, 1996). There are several inherent problems with the ERS-1 scatterometer. Since this is a multidisciplinary mission, the satellite is flown in different orbits optimized for each phase of the mission. The scatterometer also shares several sub-systems with the Synthetic Aperture Radar (SAR) and cannot be operated while the SAR is in operation. The scatterometer is also a single-sided instrument and only measures backscatter along the right side of the satellite. The processing described here generates biweekly wind maps during the wktwo years analysis period regardless of the satellite orbit or missing data.

SYNTHETIC APERTURE RADAR↗

Feedback on Forty-year Long Clean-up Operations of a Contaminated Soil for Environmental Purpose - 20026

One of the CEA facilities in France is the place of miscellaneous mapping and clean-up operations since the 1980's. The final purpose of the conducted work deals with the environmental remediation of the building. In France, the absence of a regulatory framework for the management of sites polluted by radioactive substances, especially as the lack of release thresholds, has led to develop different approaches of soil radiological characterization. The geostatistical approach is part of them. Preliminary investigations are an unavoidable step prior to clearance and remediation. First, historical analysis enables to define site perimeters to investigate as well as to precisely locate expected contaminated parts. For radioactive pollutants, the media (water, soil, air) and transfer routes participate in the definition of the investigation perimeter and thus also need to be identified through a geological study. At the same time, functional analysis leads to choose the best measurement means which could provide useful information when combined with visual inspection. An equipment well adapted to easy-to-measure radionuclides as gamma emitters, such as gamma probe or on-site gamma spectrometry, is usually selected as a non-destructive assay. Coupled with spatial positions, processed on-site radiological data can be mapped. Data processing consists in mapping and kriging before a geostatistical analysis in order to identify the zones of interest to be targeted. Selected zones are not only linked to high level count rates but also to low level ones so that a pollution-free reference is known in the area. This data processing also enables to categorize waste types according to their origin and contamination levels. An expected volume of different waste then follows as well as the waste characterization equipments. In-depth investigations, e.g. core drillings and samplings, naturally ensue to aim at remediation optimization through the assessment of environmental impact. After clean-up operations, non-destructive assays as well as destructive samplings enable to check the effective clearance. Following this methodology in the present remediation work, results of the first non-destructive assay campaign highlighted a long-lived transuranic radionuclides contamination in the concrete flagstone. Successive non-destructive assays were then performed in the defined zones of interest. Count rates measured with a surface probe were first mapped. The best localization of destructive assays, i.e. core drillings at a 1 meter depth, came from this surface mapping followed by a geostatistical analysis. The concrete flagstone was totally removed. Then, the depth of soil to remove under the flagstone was optimized from the results of radiological activities measured in core drillings samples. A new surface mapping was then drawn after this partial soil excavation. The sand and demolition rubble samples, homogeneously constituted from the flagstone fragments, were analyzed by gamma spectrometry. Meanwhile, waste drums and other containers were also measured by gamma spectrometry and passive neutron measurement devices. All these results have brought miscellaneous pieces of information. In this context, major issues appear in terms of physical constraints such as the premises tininess as well as of soil sampling techniques and in terms of measurement performances assessment and the representativeness of homogeneous samples. The choice of radiological soil and waste characterization devices is described in the light of enhanced performances by keeping in mind radiation protection requirements and a willing to always optimize waste categories (very low level waste) and volume. The improvement of the characterization methods appears through this forty-year long work while sharing the feedback of encountered difficulties. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Digital Miniature Cathode Ray Magnetometer

In this study, we introduce the concept and construction of an innovative Digital Miniature Cathode Ray Magnetometer designed for the precise detection of magnetic fields. This device addresses several limitations inherent to magnetic probes such as D.C. offset, nonlinearity, temperature drift, sensor aging, and the need for frequent recalibration, while capable of operating in a wide range of magnetic fields. The core principle of this device involves the utilization of a charged particle beam as the sensitivity medium. The system leverages the interaction of an electron beam with a scintillator material, which then emits visible light that is captured by an imager. The emitted scintillation light is captured by a CMOS sensor. This sensor not only records the scintillation light but also accurately determines the position of the electron beam, providing invaluable spatial information crucial for magnetic field mapping. The key innovation lies in the combination of electron beam projection, CMOS imager scintillation-based detection, and digital image signal processing. By employing this synergy, the magnetometer achieves remarkable accuracy, sensitivity and dynamic range. The precise position registration enabled by the CMOS sensor further enhances the device’s utility in capturing complex magnetic field patterns, allowing for 2D field mapping. In this work, the optimization of the probe’s performance is tailored for applications related to the characterization of insertion devices in light sources, including undulators.

Turqueti, Marcos↗

Incremental Parallelization of Non-Data-Parallel Programs Using the Charon Message-Passing Library

Message passing is among the most popular techniques for parallelizing scientific programs on distributed-memory architectures. The reasons for its success are wide availability (MPI), efficiency, and full tuning control provided to the programmer. A major drawback, however, is that incremental parallelization, as offered by compiler directives, is not generally possible, because all data structures have to be changed throughout the program simultaneously. Charon remedies this situation through mappings between distributed and non-distributed data. It allows breaking up the parallelization into small steps, guaranteeing correctness at every stage. Several tools are available to help convert legacy codes into high-performance message-passing programs. They usually target data-parallel applications, whose loops carrying most of the work can be distributed among all processors without much dependency analysis. Others do a full dependency analysis and then convert the code virtually automatically. Even more toolkits are available that aid construction from scratch of message passing programs. None, however, allows piecemeal translation of codes with complex data dependencies (i.e. non-data-parallel programs) into message passing codes. The Charon library (available in both C and Fortran) provides incremental parallelization capabilities by linking legacy code arrays with distributed arrays. During the conversion process, non-distributed and distributed arrays exist side by side, and simple mapping functions allow the programmer to switch between the two in any location in the program. Charon also provides wrapper functions that leave the structure of the legacy code intact, but that allow execution on truly distributed data. Finally, the library provides a rich set of communication functions that support virtually all patterns of remote data demands in realistic structured grid scientific programs, including transposition, nearest-neighbor communication, pipelining, gather/scatter, and redistribution. At the end of the conversion process most intermediate Charon function calls will have been removed, the non-distributed arrays will have been deleted, and virtually the only remaining Charon functions calls are the high-level, highly optimized communications. Distribution of the data is under complete control of the programmer, although a wide range of useful distributions is easily available through predefined functions. A crucial aspect of the library is that it does not allocate space for distributed arrays, but accepts programmer-specified memory. This has two major consequences. First, codes parallelized using Charon do not suffer from encapsulation; user data is always directly accessible. This provides high efficiency, and also retains the possibility of using message passing directly for highly irregular communications. Second, non-distributed arrays can be interpreted as (trivial) distributions in the Charon sense, which allows them to be mapped to truly distributed arrays, and vice versa. This is the mechanism that enables incremental parallelization. In this paper we provide a brief introduction of the library and then focus on the actual steps in the parallelization process, using some representative examples from, among others, the NAS Parallel Benchmarks. We show how a complicated two-dimensional pipeline-the prototypical non-data-parallel algorithm- can be constructed with ease. To demonstrate the flexibility of the library, we give examples of the stepwise, efficient parallel implementation of nonlocal boundary conditions common in aircraft simulations, as well as the construction of the sequence of grids required for multigrid.

VanderWijngaart, Rob F.↗

Legacy Code Modernization

Over the past decade, high performance computing has evolved rapidly; systems based on commodity microprocessors have been introduced in quick succession from at least seven vendors/families. Porting codes to every new architecture is a difficult problem; in particular, here at NASA, there are many large CFD applications that are very costly to port to new machines by hand. The LCM ("Legacy Code Modernization") Project is the development of an integrated parallelization environment (IPE) which performs the automated mapping of legacy CFD (Fortran) applications to state-of-the-art high performance computers. While most projects to port codes focus on the parallelization of the code, we consider porting to be an iterative process consisting of several steps: 1) code cleanup, 2) serial optimization,3) parallelization, 4) performance monitoring and visualization, 5) intelligent tools for automated tuning using performance prediction and 6) machine specific optimization. The approach for building this parallelization environment is to build the components for each of the steps simultaneously and then integrate them together. The demonstration will exhibit our latest research in building this environment: 1. Parallelizing tools and compiler evaluation. 2. Code cleanup and serial optimization using automated scripts 3. Development of a code generator for performance prediction 4. Automated partitioning 5. Automated insertion of directives. These demonstrations will exhibit the effectiveness of an automated approach for all the steps involved with porting and tuning a legacy code application for a new architecture.

Hribar, Michelle R.↗

Sparse Bayesian mass mapping with uncertainties: hypothesis testing of structure

ABSTRACT A crucial aspect of mass mapping, via weak lensing, is quantification of the uncertainty introduced during the reconstruction process. Properly accounting for these errors has been largely ignored to date. We present a new method to reconstruct maximum a posteriori (MAP) convergence maps by formulating an unconstrained Bayesian inference problem with Laplace-type l1-norm sparsity-promoting priors, which we solve via convex optimization. Approaching mass mapping in this manner allows us to exploit recent developments in probability concentration theory to infer theoretically conservative uncertainties for our MAP reconstructions, without relying on assumptions of Gaussianity. For the first time, these methods allow us to perform hypothesis testing of structure, from which it is possible to distinguish between physical objects and artefacts of the reconstruction. Here, we present this new formalism, and demonstrate the method on simulations, before applying the developed formalism to two observational data sets of the Abell 520 cluster. Initial reconstructions of the Abell 520 catalogues reported the detection of an anomalous ‘dark core’ – an overdense region with no optical counterpart – which was taken to be evidence for self-interacting dark matter. In our Bayesian framework, it is found that neither Abell 520 data set can conclusively determine the physicality of such dark cores at $99{{\ \rm per\ cent}}$ confidence. However, in both cases the recovered MAP estimators are consistent with both sets of data.

Price, M. A.↗

Likelihood-based interactive local docking into cryo-EM maps in ChimeraX

The interpretation of cryo-EM maps often includes the docking of known or predicted structures of the components, which is particularly useful when the map resolution is worse than 4 Å. Although it can be effective to search the entire map to find the best placement of a component, the process can be slow when the maps are large. However, frequently there is a well-founded hypothesis about where particular components are located. In such cases, a local search using a map subvolume will be much faster because the search volume is smaller, and more sensitive because optimizing the search volume for the rotation-search step enhances the signal to noise. A Fourier-space likelihood-based local search approach, based on the previously published em_placement software, has been implemented in the new emplace_local program. Tests confirm that the local search approach enhances the speed and sensitivity of the computations. An interactive graphical interface in the ChimeraX molecular-graphics program provides a convenient way to set up and evaluate docking calculations, particularly in defining the part of the map into which the components should be placed.

59 BASIC BIOLOGICAL SCIENCES↗

Spatially Resolved Raman Spectroscopic Investigation of Uranyl Fluoride: A Case Study in the Importance of Instrument Optimization

Raman spectroscopy is an emerging technique for rapid and nondestructive analysis of nuclear materials for forensic and nonproliferation applications as it is a powerful tool for distinguishing multiple chemical forms of materials with similar stoichiometries. Recent developments in spectroscopic software have enabled rapid data collection with high-speed Raman spectroscopic mapping capabilities. However, some uranium-rich materials are susceptible to degradation in humid air and/or laser-induced phase transformations. To mitigate environmental or measurement-related sample degradation of potential samples of interest, we have taken a systematic approach to define optimized data collection parameters for high-throughput measurements of uranyl fluoride (UO 2 F 2 ), which is an important intermediate material in the nuclear fuel cycle. First, we systematically describe the influence of optical magnification (5× to 100×), laser power, and exposure time on obtained signal for identical particles of UO 2 F 2 and find that at low laser power and exposure times, comparable signal is obtained regardless of optical magnification. Second, we ensure sample integrity during data collection, and third, collect spectroscopic maps that employ optimized parameters to reduce the time required to obtain spatially resolved spectroscopic information. Reductions of 90% and 99% in measurement times are discussed as they relate to differences in resolving spectroscopic features of particles in identical mapping areas. Finally, during this work, we found that additional data processing options were needed and thus developed a customized Python script for importing, processing, analyzing, and visualizing Raman spectroscopic map data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Classification of wetlands vegetation using small scale color infrared imagery

A classification system for Chesapeake Bay wetlands was derived from the correlation of film density classes and actual vegetation classes. The data processing programs used were developed by the Laboratory for the Applications of Remote Sensing. These programs were tested for their value in classifying natural vegetation, using digitized data from small scale aerial photography. Existing imagery and the vegetation map of Farm Creek Marsh were used to determine the optimal number of classes, and to aid in determining if the computer maps were a believable product.

Williamson, F. S. L.↗

DLES Unreal Simulation Tool (DUST)

NASA’s future Artemis missions to the Moon seek to explore areas around the Lunar South Pole. Though humans have previously set foot on the lunar surface, the proposed region provides unique and challenging environments that require insight and investigation prior to arrival. Several teams throughout the agency are performing this site and mission planning, design, and analysis to support areas like the Human Landing System (HLS), surface mobility, habitation elements, and scientific exploration. The NASA Exploration Systems Simulation (NExSyS) team at Johnson Space Center is developing a graphical environment of the Lunar South Pole region. Lunar terrain information collected from the Lunar Reconnaissance Orbiter (LRO) is compiled and made available through Johnson Space Center’s Digital Lunar Exploration Sites (DLES) data sets. The DLES data is used to build this graphic environment. The process of ingesting and accurately modeling this information in a meaningful way for analysis creates its own challenges such as generating a performant model from the source data and the application of curvature. Additionally, the area around the Lunar South Pole experiences different lighting conditions than those observed from the Apollo missions. The need to use the lunar environmental data products provided by DLES combined with the capability to calculate date specific ephemerides in real-time has given rise to the development of the DLES Unreal Simulation Tool (DUST). DUST incorporates augmented terrain from the DLES product into a desktop application that allows exploration of the Lunar South Pole region and its complex lighting conditions. DUST leverages advanced capabilities in the recently released Unreal Engine 5 renderer by Epic Games such as double precision for positioning of planetary bodies and surface elements, multiple infinite light sources to represent the Sun and eventually Earthshine, high resolution shadow maps for dynamic shadow accuracy, real-time software ray-tracing for multi-surface bounce lighting to render sunlight reflected off surface elements and terrain features, and performance optimized level of detail shifting as the eyepoint changes in a scene. This paper details the DUST application, the technologies of the engine platform that enable scientific and engineering analysis, the unique techniques and processes developed to consume the DLES data sets, and how the tool is being used to support the Artemis program.

Lunar Visualization↗

Elucidating the Onset of Plasticity in Sliding Contacts Using Differential Computational Orientation Tomography

Abstract Depending on the mechanical and thermal energy introduced to a dry sliding interface, the near-surface regions of the mated bodies may undergo plastic deformation. In this work, we use large-scale molecular dynamics simulations to generate “differential computational orientation tomographs” (dCOT) and thus highlight changes to the microstructure near tribological FCC alloy surfaces, allowing us to detect subtle differences in lattice orientation and small distances in grain boundary migration. The analysis approach compares computationally generated orientation tomographs with their undeformed counterparts via a simple image analysis filter. We use our visualization method to discuss the acting microstructural mechanisms in a load- and time-resolved fashion, focusing on sliding conditions that lead to twinning, partial lattice rotation, and grain boundary-dominated processes. Extracting and laterally averaging the color saturation value of the generated tomographs allows us to produce quantitative time- and depth-resolved maps that give a good overview of the progress and severity of near-surface deformation. Corresponding maps of the lateral standard deviation in the color saturation show evidence of homogenization processes occurring in the tribologically loaded microstructure, frequently leading to the formation of a well-defined separation between deformed and undeformed regions. When integrated into a computational materials engineering framework, our approach could help optimize material design for tribological and other deformation problems. Graphic Abstract .

36 MATERIALS SCIENCE↗