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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Chemical Upcycling of Polyolefin Plastics Using Structurally Well-defined Catalysts

Single-use polyolefins are widely used in our daily life and industrial production due to their light weight, low cost, superior stability, and durability. However, the rapid accumulation of plastic waste and low-profit recycling methods resulted in a global plastic crisis. Catalytic hydrogenolysis is regarded as a promising technique, which can effectively and selectively convert polyolefin plastic waste to value-added products. In this perspective, we focus on the design and synthesis of structurally well-defined hydrogenolysis catalysts across mesoscopic, nanoscopic, and atomic scales, accompanied by our insights into future directions in catalyst design for further enhancing catalytic performance. These design principles can also be applied to the depolymerization of other polymers and ultimately realize the chemical upcycling of waste plastics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Analyses of circular solutions for advanced plastics waste recycling

A circular plastics economy can leverage the lightweight, strong and durable characteristics of macromolecular materials, while simultaneously reducing the negative environmental impacts associated with polymer waste. Advanced recycling technologies provide an opportunity to valorize plastics waste and extend the lifespan of these materials by converting waste into new monomers, polymers or specialty chemicals. Although many advanced technologies appear promising, assessments of economic and environmental sustainability are often not conducted in a standardized fashion and neglect factors such as plastics waste transportation, sorting and pretreatment. These shortcomings can lead to inaccurate or misleading predictions, reduce opportunities for optimization and limit industrial relevance. In this Review, we highlight select industrial case studies to underscore the notable consequences of underestimating the complexity of real-life consumer plastics waste. In addition, the current challenges associated with the assessment of the industrial viability of laboratory-scale processes are explored. Here, by discussing relevant analysis frameworks and system boundaries, along with potential analytical pitfalls, future research will be guided beyond chemical considerations and toward impactful circular solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Correlation between relaxations and plastic deformation, and elastic model of flow in metallic glasses and glass-forming liquids

We study the similarity and correlations between relaxations and plastic deformation in metallic glasses (MGs) and MG-forming liquids. It is shown that the microscope plastic events, the initiation and formation of shear bands, and the mechanical yield in MGs where the atomic sites are topologically unstable induced by applied stress, can be treated as the glass to supercooled liquid state transition induced by external shear stress. On the other hand, the glass transition, the primary and secondary relaxations, plastic deformation and yield can be attributed to the free volume increase induced flow, and the flow can be modeled as the activated hopping between the inherent states in the potential energy landscape. We then propose an extended elastic model to describe the flow based on the energy landscape theory. That is, the flow activation energy density is linear proportional to the instantaneous elastic moduli, and the activation energy density {rho}{sub E} is determined to be a simple expression of {rho}{sub E}=(10/11)G+(1/11)K. The model indicates that both shear and bulk moduli are critical parameters accounting for both the homogeneous and inhomogeneous flows in MGs and MG-forming liquids. The elastic model is experimentally certified. We show that the elastic perspectives offers a simple scenario for the flow in MGs and MG-forming liquids and are suggestive for understanding the glass transition, plastic deformation, and nature and characteristics of MGs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Plasticity and ultra-low stress induced twin boundary migration in nanotwinned Cu by in situ nanoindentation studies

Nanotwinned metals have rare combinations of mechanical strength and ductility. Previous studies have shown that detwinning occurs in plastically deformed nanotwinned metals. Although molecular dynamics simulations have predicted that fine nanotwins can migrate at low stress, there is little in situ evidence to validate such predictions. Also it is unclear if detwinning occurs prior to or succeeding plastic yielding. Here, by using in situ nanoindentation in a transmission electron microscope, we show that a non-elastic detwinning process in nanotwinned Cu occurred at ultra-low indentation stress (0.1 GPa), well before the stress necessary for plastic yielding. Furthermore, the in situ nanoindentation technique allows us to differentiate dislocation-nucleation dominated microscopic yielding preceding macroscopic yielding manifested by dislocation-transmission through twin boundaries. This study thus provides further insights for understanding plasticity in nanotwinned metals at microscopic levels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Effect of plastic deformation on deuterium retention and release in tungsten

The effect of severe plastic deformation on the deuterium retention in tungsten exposed to high-flux low-energy plasma (flux ∼ 10{sup 24 }D/m{sup 2}/s, energy ∼ 50 eV, and fluence up to 3 × 10{sup 26 }D/m{sup 2}) at the plasma generator Pilot-PSI was studied by thermal desorption spectroscopy and scanning electron microscopy. The desorption spectra in both reference and plastically deformed samples were deconvolved into three contributions attributed to the detrapping from dislocations, deuterium-vacancy clusters, and pores, respectively. The plastically induced deformation, resulting in high dislocation density, does not change the positions of the three peaks, but alters their amplitudes as compared to the reference material. The appearance of blisters detected by scanning electron microscopy and the desorption peak attributed to the release from pores (i.e., deuterium bubbles) were suppressed in the plastically deformed samples but only up to a certain fluence. Beyond 5 × 10{sup 25 }D/m{sup 2}, the release from the bubbles in the deformed material is essentially higher than in the reference material. Based on the presented results, we suggest that a dense dislocation network increases the incubation dose needed for the appearance of blisters, associated with deuterium bubbles, by offering numerous nucleation sites for deuterium clusters eventually transforming into deuterium-vacancy clusters by punching out jogs on dislocation lines.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Deformation mechanism study of a hot rolled Zr-2.5Nb alloy by transmission electron microscopy. I. Dislocation microstructures in as-received state and at different plastic strains

Thin foil dog bone samples prepared from a hot rolled Zr-2.5Nb alloy have been deformed by tensile deformation to different plastic strains. The development of slip traces during loading was observed in situ through SEM, revealing that deformation starts preferentially in certain sets of grains during the elastic-plastic transition region. TEM characterization showed that sub-grain boundaries formed during hot rolling consisted of screw 〈a〉 dislocations or screw 〈c〉 and 〈a〉 dislocations. Prismatic 〈a〉 dislocations with large screw or edge components have been identified from the sample with 0.5% plastic strain. Basal 〈a〉 and pyramidal 〈c + a〉 dislocations were found in the sample that had been deformed with 1.5% plastic strain, implying that these dislocations require larger stresses to be activated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The effect of hydrogen embrittlement on the localized plastic deformation of aluminum alloy

The effect of hydrogen embrittlement on the localized plastic deformation of aluminum alloy D1 was investigated. The studies were performed for the test samples of aluminum alloy subjected to electrolytic hydrogenation. It is found that the mechanical properties and localized plastic deformation parameters of aluminum alloy are affected adversely by hydrogen embrittlement. The hydrogenated counterpart of alloy has a lower degree of ductility relative to the original alloy; however, the plastic flow behavior of material remains virtually unaffected. Using scanning electron and atomic force microscopy methods, the changes in the fracture surface were investigated. The deformation diagrams were examined for the deformed samples of aluminum alloy. These are found to show all the plastic flow stages: the linear, parabolic and pre-failure stages would occur for the respective values of the exponent n from the Ludwik-Holomon equation. Using digital speckle image technique, the local strain patterns were being registered for the original alloy D1 and the counterpart subjected to electrolytic hydrogenation for 100 h.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Intermittent plasticity in individual grains: A study using high energy x-ray diffraction

Abstract Long-standing evidence suggests that plasticity in metals may proceed in an intermittent fashion. While the documentation of intermittency in plastically deforming materials has been achieved in several experimental settings, efforts to draw connections from dislocation motion and structure development to stress relaxation have been limited, especially in the bulk of deforming polycrystals. This work uses high energy x-ray diffraction measurements to build these links by characterizing plastic deformation events inside individual deforming grains in both the titanium alloy, Ti-7Al, and the magnesium alloy, AZ31. This analysis is performed by combining macroscopic stress relaxation data, complete grain stress states found using far-field high energy diffraction microscopy, and rapid x-ray diffraction spot measurements made using a Mixed-Mode Pixel Array Detector. Changes in the dislocation content within the deforming grains are monitored using the evolution of the full 3-D shapes of the diffraction spot intensity distributions in reciprocal space. The results for the Ti-7Al alloy show the presence of large stress fluctuations in contrast to AZ31, which shows a lesser degree of intermittent plastic flow.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Relative molecular orientation can impact the onset of plasticity in molecular crystals

Abstract Creating or moving dislocations is the first step to dissipating mechanical energy via plastic deformation under contact loading. In molecular crystals there is both a lattice that defines crystal orientation and a relative orientation of the basis of the molecules. We define a normalization parameter which relates strain at yield, the hardness of the bulk crystal, and a distance parameter analogous to a Burgers vector that nominally predicts the relative ease of initiating plasticity in this broad class of materials. Analyzing the yield behavior of 10 different molecular crystals of varying space groups shows the inter-molecular orientation predicts the experimentally observed applied stress needed to nucleate dislocations. When molecules are oriented ‘parallel’ relative to one another the normalized maximum shear stress at the onset of plasticity is on the order of 3–5 times lower than when molecules within the crystal are ‘anti-parallel’, and molecules with a more equiaxed shape fall in between these bounds. This provides an initial indication of a structural feature which predicts the relative ease of initiating plasticity during contact loading in molecular crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Passive neutron coincidence counting with plastic scintillators for the characterization of radioactive waste drums

The quantification of radioactive material is essential in the fields of safeguards, criticality control of nuclear processes, dismantling of nuclear facilities and components, or radioactive waste characterization. The Nuclear Measurement Laboratory (LMN) of CEA is involved in the development of time-correlated neutron detection techniques using plastic scintillators. Usually, 3He proportional counters are used for passive neutron coincidence counting owing to their high thermal neutron capture efficiency and gamma insensitivity. However, the global {sup 3}He shortage in the past few years has made these detectors extremely expensive. In addition, contrary to {sup 3}He counters for which a few tens of microseconds are needed to thermalize fast neutrons, in view to maximize the {sup 3}He(n,p){sup 3}H capture cross section, plastic scintillators are based on elastic scattering and therefore the light signal is formed within a few nanoseconds, correlated pulses being detected within a few dozen- or hundred nanoseconds. This time span reflects fission particles time of flight, which allows reducing accordingly the duration of the coincidence gate and thus the rate of random coincidences, which may totally blind fission coincidences when using {sup 3}He counters in case of a high (α,n) reaction rate. However, plastic scintillators are very sensitive to gamma rays, requiring the use of a thick metallic shield to reduce the corresponding background. Cross talk between detectors is also a major issue, which consists on the detection of one particle by several detectors due to elastic or inelastic scattering, leading to true but undesired coincidences. Data analysis algorithms are tested to minimize cross-talk in simultaneously activated detectors. The distinction between useful fission coincidences and the correlated background due to cross-talk, (α,n) and induced (n,2n) or (n,n'γ) reactions, is achieved by measuring 3-fold coincidences. The performances of a passive neutron coincidence counting system for radioactive waste drums using plastic scintillators have been studied using the Monte Carlo radiation transport code MCNPX-PoliMi v2.0 coupled to data processing algorithms developed with ROOT data analysis software. In addition to the correlated background, accidental coincidences are taken into account in the simulation by randomly merging pulses from different calculations with fission and (α,n) sources. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

A Cyclic-Plasticity-Based Mechanistic Approach for Fatigue Evaluation of 316 Stainless Steel Under Arbitrary Loading

In this paper, a cyclic-plasticity based fully mechanistic fatigue modeling approach is presented. This is based on time-dependent stress-strain evolution of the material over the entire fatigue life rather than just based on the end of live information typically used for empirical S~N curve based fatigue evaluation approaches. Previously we presented constant amplitude fatigue test based related material models for 316 SS base, 508 LAS base and 316 SS- 316 SS weld which are used in nuclear reactor components such as pressure vessels, nozzles, and surge line pipes. However, we found that constant amplitude fatigue data based models have limitation in capturing the stress-strain evolution under arbitrary fatigue loading. To address the above mentioned limitation, in this paper, we present a more advanced approach that can be used for modeling the cyclic stress-strain evolution and fatigue life not only under constant amplitude but also under any arbitrary (random/variable) fatigue loading. The related material model and analytical model results are presented for 316 SS base metal. Two methodologies (either based on time/cycle or based on accumulated plastic strain energy) to track the material parameters at a given time/cycle are discussed and associated analytical model results are presented. From the material model and analytical cyclic plasticity model results, it is found that the proposed cyclic plasticity model can predict all the important stages of material behavior during the entire fatigue life of the specimens with more than 90% accuracy

316 Stainless Steel↗
DOE OSTI2023

Combining Agent Based Modeling and System Dynamics to Investigate the Circularity of Plastics

The United States currently produces about 1 million metric ton of ocean plastic pollution annually. One proposed solution to combat plastic waste is a circular economy (CE), which aims to transition from today's take-make-waste linear pattern of production and consumption to a system where the value of resources is maximized over time. Two key methods in industrial ecology are useful in assessing the viability of CE: (1) System Dynamics (SD) and (2) Agent Based Modeling (ABM). In prior work, the plastic life cycle was modeled with SD and ABM. The two models calculate recycling rates and costs in different ways, making it difficult to pinpoint necessary next steps. We integrate the ABM and SD models - linking the emergent patterns from micro-level human decisions to system level processes - which allows a more comprehensive understanding of feedbacks, costs, and environmental impacts. The integrated model is more accurate, and can be used to visualize recycling rates and human health and environmental impacts over time. The difference between the integrated and original SD model prompts a Sobol sensitivity analysis, which is used to understand which behavioral factors most affect plastic recycling patterns. We find that the habitual component is typically the most influential in promoting positive recycling behavior. Additionally, we utilize the combined model to understand and visualize how various behavioral intervention scenarios, like improved access to recycling programs and cart tagging, influence recycling patterns; these results can guide future policy-making.

agent-based modeling↗
DOE OSTI2016

SU-F-T-09: In Phantom Full-Implant Validation of Plastic Scintillation Detectors for in Vivo Dosimetry During Low Dose Rate Brachytherapy

Purpose: To validate in a water phantom the use of plastic scintillation detectors to measure dose to the urethra and the rectal wall during a clinically realistic low dose rate (LDR) brachytherapy implant. Methods: A template was designed to replicate a clinically realistic LDR brachytherapy prostate implant inside a water phantom. Twenty-two catheters were inserted, including one mimicking the urethra and another the rectal wall. The needles inserted in the remaining 20 catheters were composed of thin-walled nylon tubes in which I-125 radioactive seeds (Air Kerma Strengths of (0.328±0.020)U) were abutted together with plastic spacers to replicate a typical loading. A plastic scintillation detector (PSD) with a 5-mm long × 1-mm diameter sensitive element was first placed inside the urethra and 1-second measurements were performed for 60s after each needle implant. Measurements were also performed at multiple positions along the urethra once all the needles were inserted. The procedure was then repeated with the PSD placed at the rectal wall. Results: Individual dose-rates ranging from 0.07µGy/s to 1.5µGy/s were measured after each needle implant. The average absolute relative differences were (6.2±3.6)% and (6.9±6.5)% to the values calculated with the TG-43 formalism, for the urethra and rectal wall respectively. These results are within expectations from the error uncertainty budget once accounting for uncertainties in seeds’ strength and positioning. Interestingly, the PSD allowed for unplanned error detection as the study was performed. Finally, the measured dose after the full implant at different positions along the mimicked organs at risk were in agreement with TG-43 values for all of the positions tested. Conclusion: Plastic scintillation detectors could be used as in vivo detectors for LDR brachytherapy as they would provide accurate dose information after each needle implant as well as along the organs at risk at the end of the implant.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-F-T-239: Evaluation of Plastic Scintillator Light Output for Various Lead Doping Concentrations: Towards LET Detection

Purpose: This work seeks to develop a beam quality meter using multiple differently doped plastic scintillators that are thus intrinsically beam-quality dependent. Plastic scintillators spontaneously emit visible light upon irradiation; the amount of light produced is dependent on stopping power (closely related to LET) according to Birks’ law. Doping plastic scintillators can be used to tune their sensitivity to specific LET ranges. Methods: GEANT4.10.1 Monte Carlo (MC) was used to evaluate the response of various scintillator dopant combinations. MC radiation transport and scintillator light response were validated against previously published literature. Current work involves evaluating detector response experimentally; to that end, a detector prototype with interchangeable scintillator housing was constructed. Measurement set-up guides light emitted by the scintillator to a photomultiplier tube via a glass taper junction coupled to an optical fiber. The resulting signal is measured by an electrometer, and normalized to dose readout from a diode. Measurements have been done using clinical electron and orthovoltage beams. MC response (simulated scintillator light normalized to dose scored inside the scintillating volume) was evaluated for four different LET radiations for an undoped and 1%Pb doped scintillator (σ=0.85%). Simulated incident electrons included: 0.05, 0.1, 0.2, 6, 12, and 18 MeV; these energies correspond to a range of stopping power (related to LET) values ranging from 1.824 to 11.09 MeVcm{sup 2}g{sup −1} (SCOL from NIST-ESTAR). Results: Initial MC results show a distinct divergence in scintillator response as LET increases. The response for undoped plastic scintillator indicated a 35.0% increase in signal when going from 18 MeV (low LET) to 0.05 MeV (high LET) while 1%-Pb doped scintillator indicated a 100.9% increase. Conclusion: After validating MC against measurement, simulations will be used to test various concentrations (2%, 4%, 6%) of different high-Z material dopants (W, Mo) to optimize the scintillator types for the beam quality meter. NSERC Discovery Grant RGPIN-435608.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Viscoelasticity and plasticity mechanisms of human dentin

Theoretical models of viscoelastic behavior and plastic deformation mechanisms of human dentin are considered. Using the linear viscoelasticity theory in which creep and relaxation kernels have the form of fraction-exponential functions, numerical values of instantaneous and long-time Young’s moduli and other characteristics of dentin viscoelasticity under uniaxial compression are found. As dentin plastic deformation mechanisms, mutual collagen fiber sliding in the region of contact of their side surfaces, separation of these fibers from each other, and irreversible tension of some collagen fibers, are proposed. It is shown that the second mechanism activation requires a smaller stress than that for activating others. The models of plastic zones at the mode I crack tip, which correspond to these mechanisms, are studied. It is shown that the plastic zone size can increase from a few hundreds of nanometers to hundreds of micrometers with increasing applied stress.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Final Report on CFD and Thermal-Mechanical Stress Analysis of PWR Surge Line under Transient Condition Thermal Stratification and an Evolutionary Cyclic Plasticity Based Transformative Fatigue Evaluation Approach without Using S~N Curve: Rev. 1

This report presents an evolutionary cyclic plasticity based transformative approach for fatigue evaluation of safety critical components. This approach is generic which can be used not only for the present generation light water reactor components (which is our focus) but also for advanced reactor components. The approach is based on the fundamental concept of time-evolution of progressive fatigue damage rather than the end-of-life data based conventional S~N curve approaches. Series of fatigue tests on 316 stainless steel uniaxial specimens were conducted under strain-controlled and stress-controlled cyclic loading in two different environment such as in-air at 300 °C and PWR coolant water condition at 300 °C. Material models are developed to capture the uniaxial test data and are subsequently programmed into commercially available ABAQUS code to transform the uniaxial material behavior to multiaxial loading domain. The developed evolutionary cyclic-plasticity approach is verified by both analytical and 3D-FE modeling of uniaxial fatigue test specimens. Results show that the developed material models can capture the time-dependence of material hardening and softening with great accuracy. In addition, results show that the material models not only can capture the material behavior under constant amplitude loading but also can capture the load-sequence effect under variable and random amplitude loading. The ANL developed approach is one of its kind, which shows first in the fatigue research community that fatigue evaluation of a component (in our case verified for laboratory scale fatigue test specimens with great accuracy) can be performed for its entire fatigue life, including the hardening and softening behavior, without using a conventional S~N curve based approach. Additionally results are presented related to fatigue evaluation of real reactor components such as of a pressurized water reactor (PWR) surge line (SL), under upset transient conditions. SLs of PWR experience complex thermal stratification due to the mixing of differential temperature flow from hot leg and pressurizer. A detailed parametric study of thermal stratification in SL is performed through both standalone computational fluid dynamics (CFD) analysis and fluid-structure-interaction based coupled CFD and heat transfer analysis. Results show that the mass flow rate in SL substantially affects the extent of its thermal stratification. The resulting thermal boundaries conditioned are used as inputs for thermal-mechanical stress analysis and component level fatigue evaluation. Fatigue evaluation of SL pipe under example loading conditions was performed using the above-mentioned evolutionary-plasticity based approach and ASME code (for in-air life) and NUREG-6909 (for PWR environment life) based approaches. Results show that the evolutionary plasticity based approach estimate substantially different life compared to the conventional ASME based approach. To show the entirety of the proposed evolutionary fatigue-modeling framework, this report includes the results presented in semi-annual March report (ANL/LWRS-17/01). Sections 2-5 of March report are directly included as Sections 2-5 in this report, without any significant changes. However, Sections 6-9 of this report present the work performed during March-September of 2017. Whereas, Sections 1 and 10 present the organization of this report and the summary and future work, respectively. This report (ANL/LWRS-17/03 Rev. 1) is a slightly revised version of the earlier published report (ANL/LWRS-17/03). In this revised version, some of the results and associated discussion have been corrected/updated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Final Report: Development of High Light Output Plastic Scintillating and Wavelength-Shifting Fibers

Scintillating plastic optical fibers have increasingly been used as radiation detectors in nuclear and high energy physics research since they were first made in 1965. It is proposed to make fibers which are at least a factor of 2 brighter and thereby improve detection efficiency, spatial resolution and energy resolution. When radiation strikes existing plastic scintillator only the singlet excited states rather than the triplet excited states are used to produce scintillation light. This means only 25% of the deposited energy is available to produce scintillation light. Utilization of phosphorescent molecules should therefore drastically improve the light output. This process has been called “triplet harvesting” and has been successfully demonstrated in improving the light output of “Organic Light Emitting Diodes, OLEDs”. The objective of this proposal is to produce a bright scintillating fiber using triplet harvesting and a light output time constant of a few nanoseconds. In addition, an increase in the light containment will be achieved by using a new low refractive index cladding material. In Phase 1, polystyrene plastic material will be used. Organo-metallic phosphorescent and conventional dyes will be dissolved in the plastic to demonstrate both the desired brightness and fast decay time. Photophysical properties will be measured. Scintillating fiber will be made. Commercial benefits of this new material include providing improved detection of rare events such as the HIGGS BOSON at the billion dollar high energy facilities. and monitoring stored radioactive material. The new material will also play an important role in making improved imaging detection facilities for protecting civilians and facilities against CBRN-E threats. In addition, the resolution will be improved for medical brachytherapy. The results of selected organic dyes dissolved in a polystyrene matrix performing as scintillating samples are presented. The proposed organo-metallic phosphorescent dyes were not used due to lengthy synthesis times and cost. Rather, an attempt was made to harvest triplet energy from polystyrene using appropriately wavelength-matched dyes. Samples studied include films and blocks. Fibers were not manufactured as a suitable set of dyes was not determined.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2023

Data Driven Approach to Dislocation-Based Plasticity Models of Face-Centered Cubic Metals

Dislocation dynamics controls plastic deformation, mechanical strength, and failure of crystalline materials. It also governs fatigue resistance under cyclic loading, creep resistance at elevated-temperature, and radiation resistance for reactor applications. There is a compelling need for understanding fundamental dislocation mechanisms for deformation because virtually all structural metals used in energy systems are fabricated to desired forms and shapes by deformation processes. To date, the most outstanding problem in a physics-based multiscale model of crystal plasticity is the lack of quantitative connections between continuum plasticity (CP) models with the lower scale dislocation models. As a result, existing CP models used in engineering applications are still phenomenological, while evidence continues to mount that they can make inaccurate predictions under realistically complex scenarios. This project takes advantage of the recent advances in high-performance discrete dislocation dynamics (DDD) simulations and data science approaches to establish the first fully connected multiscale plasticity model for pure face-centered cubic (FCC) single crystals.

36 MATERIALS SCIENCE↗