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At least 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Novel imaging techniques of rectal cancer: what do radiomics and radiogenomics have to offer? A literature review

Introduction: As computational capabilities have advanced, radiologists and their collaborators have looked for novel ways to analyze diagnostic images. This has resulted in the development of radiomics and radiogenomics as new fields in medical imaging. Radiomics and radiogenomics may change the practice of medicine, particularly for patients with colorectal cancer. Radiomics corresponds to the extraction and analysis of numerous quantitative imaging features from conventional imaging modalities in correlation with several endpoints, including the prediction of pathology, genomics, therapeutic response, and clinical outcome. In radiogenomics, qualitative and/or quantitative imaging features are extracted and correlated with genetic profiles of the imaged tissue. Thus far, several studies have evaluated the use of radiomics and radiogenomics in patients with colorectal cancer; however, there are challenges to be overcome before its routine implementation including challenges related to sample size, model design and interpretability, and the lack of robust multicenter validation set. Material and methods: In this article, we will review the concepts of radiomics and radiogenomics and their potential applications in rectal cancer. Conclusion: Radiologists should be aware of the basic concepts, benefits, pitfalls, and limitations of new radiomic and radiogenomics techniques to achieve a balanced interpretation of the results.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Linking microstructural evolution and macro-scale friction behavior in metals [Predicting the friction behavior of metals using a microstructural evolution model]

A correlation is established between the macro-scale friction regimes of metals and a transition between two dominant atomistic mechanisms of deformation. Metals tend to exhibit bi-stable friction behavior—low and converging or high and diverging. These general trends in behavior are shown to be largely explained using a simplified model based on grain size evolution, as a function of contact stress and temperature, and are demonstrated for self-mated pure copper and gold sliding contacts. Specifically, the low-friction regime (where µ < 0.5) is linked to the formation of ultra-nanocrystalline surface films (10–20 nm), driving toward shear accommodation by grain boundary sliding. Above a critical combination of stress and temperature—demonstrated to be a material property—shear accommodation transitions to dislocation dominated plasticity and high friction, with µ > 0.5. We utilize a combination of experimental and computational methods to develop and validate the proposed structure–property relationship. As a result, this quantitative framework provides a shift from phenomenological to mechanistic and predictive fundamental understanding of friction for crystalline materials, including engineering alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Modulation of FadR Binding Capacity for Acyl-CoA Fatty Acids Through Structure-Guided Mutagenesis

FadR is a versatile global regulator in Escherichia coli that controls fatty acid metabolism and thereby modulates the ability of this bacterium to grow using fatty acids or acetate as the sole carbon source. FadR regulates fatty acid metabolism in response to intra-cellular concentrations of acyl-CoA lipids. The ability of FadR to bind acyl-CoA fatty acids is hence of significant interest for the engineering of biosynthetic pathways for the production of lipid-based biofuels and commodity chemicals. Based on the available crystal structure of E. coli bound to myristoyl- CoA, we predicted amino acid positions within the effector binding pocket that would alter the ability of FadR to bind acyl-CoA fatty acids without affecting DNA binding. We utilized fluorescence polarization to characterize the in-vitro binding properties of wild type and mutant FadR. We found that a Leu102Ala mutant enhanced binding of the effector, likely by increasing the size of the binding pocket for the acyl moiety of the molecule. Conversely, the elimination of the guanidine side chain (Arg213Ala and Arg213Met mutants) of the CoA moiety binding site severely diminished the ability of FadR to bind the acyl-CoA effector. These results demonstrate the ability to fine tune FadR binding capacity. The validation of an efficient method to fully characterize all the binding events involved in the specific activity (effector and DNA operator binding) of FadR has allowed us to increase our understanding of the role of specific amino acids in the binding and recognition of acyl-CoA fatty acids and will greatly facilitate efforts aimed at engineering tunable FadR regulators for synthetic biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Design and analysis of Vivaldi antenna with enhanced radiation characteristics for mm-wave and THz applications

This article presents a novel approach to design Vivaldi antennas for millimeter and Terahertz band applications. The radiation performance of the proposed Vivaldi antenna is enhanced by employing cross shape resonator and abridged rectangular slots at the edge of radiating arms. In the THz regime, the simulated − 10 dB impedance bandwidth is approximately 76 GHz, minimum return loss of − 58.83 dB, VSWR of 1.002, peak gain of 11.77 dB, radiation efficiency of 97.40% and directivity of 11.89 dBi are achieved at the corresponding resonance frequency of 0.603 THz. Further, in order to validate the suggested design method, targeted antennas are fabricated, tested at 0.06125-THz and 0.06215-THz frequency. The significant performance improvement in radiation characteristics are observed over the frequency band from 0.06- to 0.065-THz. The proposed THz antenna useful for the application of video-rate imaging, object imaging, detection of illicit drugs using spectroscopy, Doppler radar and/or on-body techniques and wireless communications. Similarly, the planned mm-wave antenna is useful for the imaging system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

DIC Challenge: Developing Images and Guidelines for Evaluating Accuracy and Resolution of 2D Analyses

With the rapid spread in use of Digital Image Correlation (DIC) globally, it is important there be some standard methods of verifying and validating DIC codes. To this end, the DIC Challenge board was formed and is maintained under the auspices of the Society for Experimental Mechanics (SEM) and the international DIC society (iDICs). The goal of the DIC Board and the 2D–DIC Challenge is to supply a set of well-vetted sample images and a set of analysis guidelines for standardized reporting of 2D–DIC results from these sample images, as well as for comparing the inherent accuracy of different approaches and for providing users with a means of assessing their proper implementation. This document will outline the goals of the challenge, describe the image sets that are available, and give a comparison between 12 commercial and academic 2D–DIC codes using two of the challenge image sets.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Contact pressure analysis to allow improved design for the clearing plate in a biomass comminution system

For biomass processing systems, feedstocks with small but equal sizes can improve flowability and thermochemical outputs. The Crumbler rotary shear system was designed to achieve such ideal feedstocks to reduce costs and energy throughout the biomass supply chain. Improving the wear resistance of major components in this system is important to decrease the cost. Accelerating the feedstock flow through the rotary shear machine plays an equivalent role of improving its efficiency. An analytical analysis and a finite-element analysis of the stationary clearing plate are presented in this work. Here, these tools are used to investigate the effect of contact surface curvature on the impact pressure. The optimized new clearing plate design is expected to improve the component’s lifetime and wood chips flowability. The field tests confirm that the trend of the new clearing plate design guided by FEA. The optimization method, model verification, and validation experience applied in this work can also be applied to other static components with similar simple contact wear problems.

09 BIOMASS FUELS↗
DOE OSTI2018

Introducing nano-scale quantitative polymerase chain reaction

Highlights: • qPCR remain the gold-standard-method for measuring and validating gene expression levels and alterations. • qPCR reaction volume can be significantly reduced. • 1 μL versus 10 μL total reaction volumes gave comparable results. • The reduction in reaction volume can greatly reduce sample use and reagent cost. We show that the quantitative PCR reaction volume can be reduced significantly compared to the standard procedures, without compromising data quality. By analyzing dilution series (10{sup 0}–10{sup −7}) we found that measurement in 1 μl reaction volume indeed gave valid results comparable to 10 μL, when using a routine pipetting robot. This may enable a significant cost reduction through cutback of both biological material as well as chemical reagents.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Validating corrosion models: A comparison of governing equations

Experimental validation of Finite Element Method (FEM) models varying electrochemical governing equations, inclusion of chemical reactions, and time on the resultant damage profile for two galvanic couples is explored. Two anode materials (Magnesium AZ31 and Carbon Steel) in contact with a cathode (Stainless Steel 304 L) were modeled in/exposed to NaCl (1 and 0.1 M respectively for the anode materials) for up to one week. The physics approach, inclusion of chemical reactions, and the boundary conditions required to accurately represent the damage profile in FEM models depended on the galvanic couple materials and, ultimately, the corrosion rate. For high rates of corrosion (i.e., magnesium anode), the Nernst-Planck equation with Electroneutrality was sufficient to describe the damage, while, for low rates of corrosion (i.e., carbon steel anode), the Laplace equation was sufficient. In all cases, the most complete governing equation (Nernst-Planck-Poisson Equation) was not necessary to accurately describe the damage. Precipitation reactions in solution also played a critical role in the predicted damage profile, especially for high corrosion rate systems. Finally, for short time periods (< 6 h), the choice of governing equations does not significantly influence damage profile results. Overall, the choice of physics to reduce error in simulations relies on the boundary conditions, geometry, conductivity of the solution, electrochemical potential differences, and time of exposure. The above results are discussed with regard to accuracy and computational savings.

Carbon steel↗
DOE OSTI2016

A new method to assess the sustainability performance of events: Application to the 2014 World Orienteering Championship

Nowadays an increasing attention of public and private agencies to the sustainability performance of events is observed, since it is recognized as a key issue in the context of sustainable development. Assessing the sustainability performance of events involves environmental, social and economic aspects; their impacts are complex and a quantitative assessment is often difficult. This paper presents a new quali-quantitative method developed to measure the sustainability of events, taking into account all its potential impacts. The 2014 World Orienteering Championship, held in Italy, was selected to test the proposed evaluation methodology. The total carbon footprint of the event was 165.34 tCO{sub 2}eq and the avoided emissions were estimated as being 46 tCO{sub 2}eq. The adopted quali-quantitative method resulted to be efficient in assessing the sustainability impacts and can be applied for the evaluation of similar events. - Highlights: • A quali-quantitative method to assess events' sustainability is presented. • All the methodological issues related to the method are explained. • The method is used to evaluate the sustainability of an international sports event. • The method resulted to be valid to assess the event's sustainability level. • The carbon footprint of the event has been calculated.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2018

A biophysical approach to the performance diagnosis of human–building energy interaction: Information (bits) modeling, algorithm, and indicators of energy flow complexity

Highlights: • Energy-related human-building interaction is analyzed at the biophysical system scale. • Energy flow-networking model of environmental building performance is suggested. • Information is suggested as a holistic building performance metric. - Abstract: This article addresses the utmost upstream impacts of human–building energy interaction by proposing a network-based model, algorithms, and indicators. Hypothesizing that human behavior is a key factor for the symbiotic development of building and the geobiosphere system, the author seeks emergy (spelled with an “m”)-information integrated measures to indicate dynamic system-level performance of the interaction with building energy flow topology. To validate the hypothesis and methods, four representative building cases were tested on the building form (envelope) of (i) a building with no occupant intervention (baseline), (ii) a building controlled by responsive human behavior (bioclimatic adaptation), (iii) a building with reinforced insulation and behavior-dominated control (passive design), and (iv) a net-zero energy building (NZEB). The results demonstrate that adaptive human behavior in building operation increases the information content and complexity of energy-flow networking, improving performance and sustainability. Findings also reveal that increasing information, complexity, and power (energy availability over time) parallel the general energetic features of developing biophysical systems (greater feedback, internalization, and recycling of materials and energies). It becames clear that active behavioral response is a dominant agent of sustainable environments even on a far broader system scale.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

QUIC-URB and QUIC-fire extension to complex terrain: Development of a terrain-following coordinate system

Ensemble-based approaches to prescribed fire planning cannot be supported by CFD-based models like FIRETEC and WFDS because they are too computationally expensive and cannot leverage LES approaches like CAWFE and WRF-SFIRE because too coarse of resolution. QUIC-Fire was developed to fill this gap but it cannot currently address complex terrain, typical for instance of the Western United States. In this paper, we describe the extension of the diagnostic wind model QUIC-URB, the wind engine of QUIC-Fire, to a terrain-following coordinate system. In particular, the paper presents the mathematical derivation of the wind solver leading to a linear system of equations that are solved through the successive over-relaxation method. The model is validated against a standard test used in previous works (the Askervein Hill) and against a new dataset from measurements in the Socorro Mountains, New Mexico. The terrain-following implementation captured the correct phenomenology for the isolated Askervein Hill, with a wind speed up at the top of the hill. We report the model agreed well with measurements on the upwind side of the peak, but overestimated speed-up on the downwind side of the hill. This is due to the inability of the model to generate flow separation and wake-eddy dynamics. On a common laptop, the divergence-free wind field was obtained in 6 s, making the solver appealing for coupled fire–atmosphere simulations. The Socorro Mountain was highly complex, with many cliff faces, peaks, and valleys. Although the model captures the magnitude and direction of inlet and outlet areas of the domain, it performs rather poorly in the valley region and in the regions near the steep cliffs. Hence, the model shows good agreement with data in areas of open sloped terrain but lacks in areas where flow separation and thermally driven effects may be present (neither effect was addressed in this work). Results highlight that future work should focus on the implementation of parameterizations of wake-eddies, similar to QUIC-URB’s building parameterizations, and on thermodynamic-driven flow.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

A data driven control strategy for optimal and flexible operation of absorption systems; Stratégie de régulation fondée sur les données pour un fonctionnement optimal et flexible des systèmes à absorption

A novel control strategy for vapor absorption systems with experimental validation is presented. Statistical methods are used to integrate a detailed thermodynamic model and system-specific characteristics into a model based control algorithm. This allows for continuously optimized operation as well as fast response to variations in operating conditions. Autonomous controller performance was tested experimentally for response to changes in heat sink and evaporator temperatures. Continuous turndown with fast response to capacity demand changes, in contrast to suboptimal on/off control, was demonstrated. The thermal compressor concept was employed to develop the variable speed thermal compressor module, with aspects specific to absorption heat pumps, also facilitating cross-applicability of vapor compression system control strategies. Our results of this study enable further development and optimization of absorption systems for a wide range of applications.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Pretreatment Predictors of Adverse Radiation Effects After Radiosurgery for Arteriovenous Malformation

Purpose: To identify vascular and dosimetric predictors of symptomatic T2 signal change and adverse radiation effects after radiosurgery for arteriovenous malformation, in order to define and validate preexisting risk models. Methods and Materials: A total of 125 patients with arteriovenous malformations (AVM) were treated at our institution between 2005 and 2009. Eighty-five patients have at least 12 months of clinical and radiological follow-up. Any new-onset headaches, new or worsening seizures, or neurological deficit were considered adverse events. Follow-up magnetic resonance images were assessed for new onset T2 signal change and the volume calculated. Pretreatment characteristics and dosimetric variables were analyzed to identify predictors of adverse radiation effects. Results: There were 19 children and 66 adults in the study cohort, with a mean age of 34 (range 6-74). Twenty-three (27%) patients suffered adverse radiation effects (ARE), 9 patients with permanent neurological deficit (10.6%). Of these, 5 developed fixed visual field deficits. Target volume and 12 Gy volume were the most significant predictors of adverse radiation effects on univariate analysis (p < 0.001). Location and cortical eloquence were not significantly associated with the development of adverse events (p = 0.12). No additional vascular parameters were identified as predictive of ARE. There was a significant target volume threshold of 4 cm{sup 3}, above which the rate of ARE increased dramatically. Multivariate analysis target volume and the absence of prior hemorrhage are the only significant predictors of ARE. The volume of T2 signal change correlates to ARE, but only target volume is predictive of a higher volume of T2 signal change. Conclusions: Target volume and the absence of prior hemorrhage is the most accurate predictor of adverse radiation effects and complications after radiosurgery for AVMs. A high percentage of permanent visual field defects in this series suggest the optic radiation is a critical radiosensitive structure.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2017

A model and numerical method for compressible flows with capillary effects

A new model for interface problems with capillary effects in compressible fluids is presented together with a specific numerical method to treat capillary flows and pressure waves propagation. This new multiphase model is in agreement with physical principles of conservation and respects the second law of thermodynamics. A new numerical method is also proposed where the global system of equations is split into several submodels. Each submodel is hyperbolic or weakly hyperbolic and can be solved with an adequate numerical method. This method is tested and validated thanks to comparisons with analytical solutions (Laplace law) and with experimental results on droplet breakup induced by a shock wave.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Conceptual Study on Air Ingress Mitigation for VHTRs

An air-ingress accident followed by a pipe break is considered as a critical event for a very high temperature gas-cooled reactor (VHTR) safety. Following helium depressurization, it is anticipated that unless countermeasures are taken, air will enter the core through the break leading to oxidation of the in-core graphite structure. Thus, without mitigation features, this accident might lead to severe exothermic chemical reactions of graphite and oxygen depending on the accident scenario and the design. Under extreme circumstances, a loss of core structural integrity may occur and lead to a detrimental situation for the VHTR safety. This paper discusses various air-ingress mitigation concepts applicable for the VHTRs. The study begins with identifying important factors (or phenomena) associated with the air-ingress accident using a root-cause analysis. By preventing main causes of the important events identified in the root-cause diagram, the basic air-ingress mitigation ideas were conceptually developed. Among them, two concepts were finally evaluated as effective candidates. One concept is to inject helium into the lower plenum which is a direct in-vessel helium injection. The other concept is to enclose the reactor with a non-pressure boundary consisting of an opening at the bottom, which is an ex-vessel enclosure boundary. Computational fluid dynamics (CFD) methods were used to validate these concepts. As a result, it was shown that both concepts can effectively mitigate the air-ingress process. In the first concept, the injected helium replaces the air in the core and the lower plenum upper part by buoyancy force because of its low density. It prevented air from moving into the reactor core showing great potential for mitigating graphite oxidation in the core. In the second concept, the air-ingress rate is controlled by molecular diffusion through the opening at the enclosure bottom after depressurization. Some modified reactor cavity design is expected to play this role in the VHTRs.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Challenges in leveraging existing human performance data for quantifying the IDHEAS HRA method

Our article documents an exploratory study for collecting and using human performance data to inform human error probability (HEP) estimates for a new human reliability analysis (HRA) method, the IntegrateD Human Event Analysis System (IDHEAS). The method was based on cognitive models and mechanisms underlying human behaviour and employs a framework of 14 crew failure modes (CFMs) to represent human failures typical for human performance in nuclear power plant (NPP) internal, at-power events [1]. A decision tree (DT) was constructed for each CFM to assess the probability of the CFM occurring in different contexts. Data needs for IDHEAS quantification are discussed. Then, the data collection framework and process is described and how the collected data were used to inform HEP estimation is illustrated with two examples. Next, five major technical challenges are identified for leveraging human performance data for IDHEAS quantification. Furthermore, these challenges reflect the data needs specific to IDHEAS. More importantly, they also represent the general issues with current human performance data and can provide insight for a path forward to support HRA data collection, use, and exchange for HRA method development, implementation, and validation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Excited State Intramolecular Proton Transfer with Nuclear-Electronic Orbital Ehrenfest Dynamics

The recent development of the Ehrenfest dynamics approach in the nuclear-electronic orbital (NEO) framework provides a promising way to simulate coupled nuclear-electronic dynamics. Our previous study showed that the NEO-Ehrenfest approach with a semi- classical traveling proton basis method yields accurate predictions of molecular vibrational frequencies. In this work, we provide a more thorough analysis of the semiclassical traveling proton basis method to elucidate its validity and convergence behavior. We also conduct NEO-Ehrenfest dynamics simulations to study an excited state intramolecular proton transfer process. These simulations reveal that nuclear quantum effects influence the predictions of proton transfer reaction rates and kinetic isotope effects due to the intrinsic delocalized nature of the quantum nuclear wave function. This work illustrates the importance of nuclear quantum effects in coupled nuclear-electronic dynamical processes and shows that the NEO-Ehrenfest approach can be a powerful tool to provide insights and predictions for these processes.

Zhao, Luning↗