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Construction of an Exact Pressure-Equilibrium Scheme for the Five-Equation Two-Phase Flow Model With Thermal Relaxation

Numerical simulation of compressible multiphase flows based on the four-equation (homogeneous relaxation) model is known to suffer from two fundamental difficulties with (a) wave propagation and (b) pressure equilibrium preservation. First, the mixture sound speed exhibits non-monotonic dependency with respect to the volume fraction, which leads to robustness issues in the resolution of shocks and acoustic wave propagation across two-phase regions. This difficulty can be mitigated by solving Allaire’s five-equation model augmented with infinitely fast phasic temperature equilibrium, from which solutions of the four-equation model can be recovered. However, when temperature is non-uniform, this augmented five-equation formulation still fails to preserve pressure equilibrium across material interfaces. In this work, we propose a fully conservative numerical scheme that exactly preserves pressure equilibrium at the discrete level for the augmented five-equation model, for arbitrary initial distributions of temperature and volume fraction. Combined with the monotonic sound speed property of the five-equation formulation, the proposed pressure-equilibrium preserving scheme significantly improves robustness in the presence of strong multiphase interactions, including shock–interface interactions and advection of material interfaces.

ESG↗

DOE OSTI2019

The OECD-NEA RK and M Initiative (2011-2018) - a 7-year step in a 10,000-year journey: What next? - 19432

The OECD Nuclear Energy Agency (NEA) has coordinated an international initiative to develop understanding and guidelines related to the long-term preservation of records, knowledge and memory (RK and M) for radioactive waste repositories. After seven years of work, it has come to a close in 2018. Currently, the 'Final Report of the RK and M Initiative' is in the final process of publication [the status/sentence will be updated in early 2019]. It includes a historical review, sets out the RK and M fundamentals, presents a menu of approaches and mechanisms of RK and M preservation, and finally provides suggestions on how to develop a systemic strategy aimed at embedding radioactive waste repositories in society over extended periods of time. This paper highlights the 'multi-dimensionality' of RK and M preservation: Multiple time frames need to be considered, multiple transmission modes explored, and multiple actors brought together. The latter seems to be the primary aspect to be considered in the discussion about future (international) cooperation in the RK and M preservation field. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Moonshine, superconformal symmetry, and quantum error correction

Special conformal field theories can have symmetry groups which are interesting sporadic finite simple groups. Famous examples include the Monster symmetry group of a c = 24 twodimensional conformal field theory (CFT) constructed by Frenkel, Lepowsky and Meurman, and the Conway symmetry group of a c = 12 CFT explored in detail by Duncan and Mack-Crane. The Mathieu moonshine connection between the K3 elliptic genus and the Mathieu group M24 has led to the study of K3 sigma models with large symmetry groups. A particular K3 CFT with a maximal symmetry group preserving (4, 4) superconformal symmetry was studied in beautiful work by Gaberdiel, Taormina, Volpato, and Wendland [41]. The present paper shows that in both the GTVW and c = 12 theories the construction of superconformal generators can be understood via the theory of quantum error correcting codes. The automorphism groups of these codes lift to symmetry groups in the CFT preserving the superconformal generators. In the case of the N = 1 supercurrent of the GTVW model our result, combined with a result of T. Johnson-Freyd implies the symmetry group is the maximal subgroup of M24 known as the sextet group. (The sextet group is also known as the holomorph of the hexacode.) Building on [41] the Ramond-Ramond sector of the GTVW model is related to the Miracle Octad Generator which in turn leads to a role for the Golay code as a group of symmetries of RR states. Moreover, (4, 1) superconformal symmetry suffices to define and decompose the elliptic genus of a K3 sigma model into characters of the N = 4 superconformal algebra. The symmetry group preserving (4, 1) is larger than that preserving (4, 4).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Stratified manifold of quantum states, actions of the complex special linear group

We review the geometry of the space of quantum states S(H) of a finite-level quantum system with Hilbert space H from a group-theoretical point of view. This space carries two stratifications generated by the action of two different Lie groups, namely, the special unitary group SU(H) and its complexification SL(H), the complex special linear group. A stratum of the stratification generated by SU(H) is composed of isospectral states, that is, density operators with the same spectrum. A stratum of the stratification generated by SL(H) is composed of quantum states with the same rank. We prove that on every submanifold of isospectral quantum states there is also a canonical left action of SL(H) which is related with the canonical Kähler structure on isospectral quantum states. The fundamental vector fields of this SL(H)-action are divided into Hamiltonian and gradient vector fields. The former give rise to invertible maps on S that preserve the von Neumann entropy and the convex structure of S(H), while the latter give rise to invertible maps on S(H) that preserve the von Neumann entropy but not the convex structure of S(H). A similar decomposition is given for the fundamental vector fields of the SL(H)-action generating the stratification of S(H) into manifolds of quantum states with the same rank. However, in this case, the gradient vector fields preserve the rank but do not preserve entropy. Finally, some comments on multipartite quantum systems are made, and it is proved that the sets of product states of a multipartite quantum system are homogeneous manifolds for the local action of the complex special linear group associated with the partition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Downregualtion of dynamin-related protein 1 attenuates glutamate-induced excitotoxicity via regulating mitochondrial function in a calcium dependent manner in HT22 cells

Highlights: •Downregulation of Drp-1 attenuates glutamate-induced excitotoxicity. •Downregulation of Drp-1 inhibits glutamate-induced apoptosis. •Downregulation of Drp-1 reduces glutamate-induced mitochondrial dysfunction. •Downregulation of Drp-1 preserves intracellular calcium homeostasis. -- Abstract: Glutamate-mediated excitotoxicity is involved in many acute and chronic brain diseases. Dynamin related protein 1 (Drp-1), one of the GTPase family of proteins that regulate mitochondrial fission and fusion balance, is associated with apoptotic cell death in cancer and neurodegenerative diseases. Here we investigated the effect of downregulating Drp-1 on glutamate excitotoxicity-induced neuronal injury in HT22 cells. We found that downregulation of Drp-1 with specific small interfering RNA (siRNA) increased cell viability and inhibited lactate dehydrogenase (LDH) release after glutamate treatment. Downregulation of Drp-1 also inhibited an increase in the Bax/Bcl-2 ratio and cleavage of caspase-9 and caspase-3. Drp-1 siRNA transfection preserved the mitochondrial membrane potential (MMP), reduced cytochrome c release, enhanced ATP production, and partly prevented mitochondrial swelling. In addition, Drp-1 knockdown attenuated glutamate-induced increases of cytoplasmic and mitochondrial Ca{sup 2+}, and preserved the mitochondrial Ca{sup 2+} buffering capacity after excitotoxicity. Taken together, these results suggest that downregulation of Drp-1 protects HT22 cells against glutamate-induced excitatory damage, and this neuroprotection may be dependent at least in part on the preservation of mitochondrial function through regulating intracellular calcium homeostasis.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

The nematode Caenorhabditis elegans survives subfreezing temperatures in an isochoric system

This study is the first experimental evidence showing that a living multicellular organism, the nematode Caenorhabditis elegans, can survive subfreezing temperatures in an isochoric (constant volume) thermodynamic system, while immersed in a simple isotonic solution, without the addition of cryoprotectants. Some of the test conditions were more extreme than those found at the ice/water interface of the Antarctic subglacial Vostok lake. On earth, life takes place in an isobaric (constant pressure) environment. In isobaric systems, subfreezing temperature survival of organisms in nature and subfreezing temperature preservation of living material for biotechnology and medicine, is made possible by use of cryoprotective chemicals additives. Our theoretical thermodynamic studies suggested that in an isochoric system, living biological material could survive subfreezing temperatures, without any cryoprotective chemicals. By confirming the theoretical predictions, this paper suggests a new technology for subfreezing preservation of cells, organs and organisms of possible value for biotechnology and medicine as well as new possible mechanisms of living organism survival in nature. - Highlights: • Preservation of biological materials at, subfreezing temperatures, in an isochoric system, is demonstrated. • Experiments were performed with Caenorhabditis elegans to pressures of 65 MPa and temperatures of −6 °C. • Isochoric subfreezing temperature is a new preservation method that does not require the use of cryoprotectants.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Clinical Outcomes With Dose-Escalated Adaptive Radiation Therapy for Urinary Bladder Cancer: A Prospective Study

Purpose: The purpose of this study was to assess feasibility, clinical outcomes, and toxicity in patients with bladder cancer treated with adaptive, image guided radiation therapy (IGRT) for bladder preservation as a part of trimodality treatment. The role of dose escalation was also studied. Methods and Materials: Forty-four patients with localized bladder cancer were enrolled in a prospective study. They underwent maximal safe resection of bladder tumor and concurrent platinum-based chemotherapy. Patients with large tumors were offered induction chemotherapy. Radiation therapy planning was done using either 3 (n=34) or 6 (n=10) concentrically grown planning target volumes (PTV). Patients received 64 Gy in 32 fractions to the whole bladder and 55 Gy to the pelvic nodes and, if appropriate, a simultaneous integrated boost to the tumor bed to 68 Gy (equivalent dose for 2-Gy fractions assuming α/β of 10 [EQD2]{sub 10} = 68.7 Gy). Daily megavoltage (MV) imaging helped to choose the most appropriate PTV encompassing bladder for the particular day (using plan-of-the-day approach). Results: Most patients (88%) had T2 disease. Sixteen patients (36%) received neoadjuvant chemotherapy. A majority of the patients (73%) received prophylactic nodal irradiation, whereas 55% of the patients received escalated dose to the tumor bed. With a median follow-up of 30 months, the 3-year locoregional control (LRC), disease-free survival, and overall survival (OS) were 78%, 66%, and 67%, respectively. The bladder preservation rate was 83%. LRC (87% vs 68%, respectively, P=.748) and OS (74% vs 60%, respectively, P=.36) rates were better in patients receiving dose escalation. Instances of acute and late Radiation Therapy Oncology Group (RTOG) grade 3 genitourinary toxicity was seen in 5 (11%) and 2 (4%) patients, respectively. There was no acute or late RTOG grade 3 or higher gastrointestinal toxicity. Conclusions: Adaptive IGRT using plan-of-the-day approach for bladder preservation is clinically feasible, with good oncological outcomes and low rates of acute and late toxicities. Dose escalation is safe and possibly improves outcomes in bladder preservation.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2025

CLPNets: Coupled Lie–Poisson neural networks for multi-part Hamiltonian systems with symmetries

To accurately compute data-based prediction of Hamiltonian systems, it is essential to utilize methods that preserve the structure of the equations over time. We consider a particularly challenging case of systems with interacting parts that do not reduce to pure momentum evolution. Such systems are essential in scientific computations, such as discretization of a continuum elastic rod, which can be viewed as the group of rotations and translations $SE(3)$. The evolution involves not only the momenta but also the relative positions and orientations of the particles. The presence of Lie group-valued elements, such as relative positions and orientations, poses a problem for applying previously derived methods for data-based computing. We develop a novel method of data-based computation and complete phase space learning of such systems. We follow the original framework of SympNets (Jin et al., 2020) and LPNets (Eldred et al., 2024), building the neural network from phase space mappings that preserve the Lie–Poisson structure. We derive a novel system of mappings that are built into neural networks describing the evolution of such systems. We call such networks Coupled Lie–Poisson Neural Networks, or CLPNets. We consider increasingly complex examples for the applications of CLPNets, starting with the rotation of two rigid bodies about a common axis, progressing to the free rotation of two rigid bodies, and finally to the evolution of two connected and interacting $SE(3)$ components, describing the discretization of an elastic rod into two elements. Our method preserves all Casimir invariants to machine precision, preserves energy to high accuracy, and shows good resistance to the curse of dimensionality, requiring only a few thousand data points for all cases studied (three to eighteen dimensions). Additionally, the method is highly economical in memory requirements, requiring only about 200 parameters for the most complex case considered.

Data-based modeling↗

DOE OSTI2016

In Situ Methods for Monitoring Silver Nanoparticle Sulfidation in Simulated Waters

To probe the transformation pathways of metallic nanomaterials, measurement tools capable of detecting and characterizing the broad distribution of products with limited perturbation are required. Here, we demonstrate the detection of transformation products resulting from 40 kDa PVP-coated silver nanoparticles (AgNPs) reacted in aerated, sulfide-containing water and EPA moderately hard reconstituted water standard. Using single particle inductively coupled plasma mass spectrometry, silver mass preservation in primary AgNP populations during sulfidation was observed under all reaction conditions examined. Disparate sensitivities of Ag + and AgNPs to different media were observed, limiting confidence in the measured dissolved fraction. Examination with hyphenated asymmetric flow field-flow fractionation (A4F) methods supported similar mass preservation. Using flow-cell FTIR measurements, we provide direct evidence for the preservation of PVP-coatings in the presence of Na 2 S and fulvic acid, which we attributed to the observed, unprecedented Ag preservation. Using A4F and X-ray scattering, sub 10 nm AgNP populations, which have gone nearly unstudied in environmental systems, were detected and characterized in all the pristine and transformed product distributions examined. Lastly, by distinguishing Ag + from individual AgNPs, quantification of each population becomes tractable, which is a critical measurement need for toxicity testing and predicting NP fate in engineered and natural systems.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Mineral Protection and Resource Limitations Combine to Explain Profile-Scale Soil Carbon Persistence

The fate of soil carbon (C) is largely controlled by microbial oxidation of organic matter (OM), which is constrained by a variety of mechanisms. OM association with soil minerals provides pronounced protection against microbial decomposition. However, factors such as climate, occlusion, and resource limitations also contribute to OM preservation. Here, we explore the factors explaining C distribution and age within an upland rainforest soil in Hawai'i, a site with abundant preferential flow paths (PFPs) and high short-range order (SRO) mineral content. We characterized lateral and vertical changes in Δ 14 C, SRO mineral content, C-functional group chemistry, and microbial community composition to elucidate the contributions of multiple protection mechanisms to OM preservation. Consistent with our expectation, SRO mineral content and Δ 14 C were strongly correlated (R 2 = 0.95), indicating strong mineral protection of OM throughout the profile. Surprisingly, distance from PFP was also a significant predictor of Δ 14 C and improved model fit, particularly in the shallow horizons (R 2 = 0.97). Elevated C/N ratios, decreased microbial abundance, and greater SRO mineral content suggest nitrogen limitations and enhanced mineral protection constrain OM turnover with distance from PFPs in deep, subsurface mineral horizons. Steady microbial abundance, increasing putative anaerobe abundance, and changes in C-functional group chemistry indicate oxygen limitations constrain OM turnover in the matrix of shallow mineral horizons. Given that oxygen and nutrient limitations contribute to OM preservation in this high SRO system—an exemplar of mineral protection—resource limitations may play an even more important role in OM preservation in other well-structured soils.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Hierarchical biota-level and taxonomic controls on the chemistry of fossil melanosomes revealed using synchrotron X-ray fluorescence

Fossil melanosomes, micron-sized granules rich in melanin in vivo, provide key information for investigations of the original coloration, taxonomy and internal anatomy of fossil vertebrates. Such studies rely, in part, on analysis of the inorganic chemistry of preserved melanosomes and an understanding of melanosome chemical taphonomy. The extent to which the preserved chemistry of fossil melanosomes is biased by biotic and abiotic factors is, however, unknown. Here we report the discovery of hierarchical controls on the inorganic chemistry of melanosomes from fossil vertebrates from nine biotas. The chemical data are dominated by a strong biota-level signal, indicating that the primary taphonomic control is the diagenetic history of the host sediment. This extrinsic control is superimposed by a biological, tissue-level control; tissue-specific chemical variation is most likely to survive in fossils where the inorganic chemistry of preserved melanosomes is distinct from that of the host sediment. Comparative analysis of our data for fossil and modern amphibians reveals that most fossil specimens show tissue-specific melanosome chemistries that differ from those of extant analogues, strongly suggesting alteration of original melanosome chemistry. Collectively, these findings form a predictive tool for the identification of fossil deposits with well-preserved melanosomes amenable to studies of fossil colour and anatomy.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2015

The mapping and differentiation of biological and environmental elemental signatures in the fossil remains of a 50 million year old bird

The preservation of fossils reflects the interplay of inorganic and organic chemical processes, which should be clearly differentiated to make interpretations about the biology of extinct organisms. A new coliiformes bird (mouse bird) from the ~50 million year old Green River Formation (Wyoming, USA) has here been analysed using synchrotron X-ray fluorescence and environmental scanning electron microscopy with an attached X-ray energy dispersive system (ESEM-EDS). The concentration and distribution of 16 elements (Si, P, S, Cl, K, Ca, Ti, Mg, Fe, Ni, Cu, Zn, As, Br, Ba, Hg) has been mapped for individual points on the sample. S, Cu and Zn map distinctly within visibly preserved feathers and X-ray Absorption Spectroscopy (XAS) shows that S and Cu within the feathers are organically bound in a similar manner to modern feathers. The morphological preservation of the feathers, on both macro- and microscopic scales, is variable throughout the fossil and the differences in the lateral microfacies have resulted in a morphological preservation gradient. This study clearly differentiates endogenous organic remains from those representing exogenous overprinted geochemical precipitates and illustrates the chemical complexity of the overall taphonomic process.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Bi-alkali antimonide photocathode growth: An X-ray diffraction study

Bi-alkali antimonide photocathodes are one of the best known sources of electrons for high current and/or high bunch charge applications like Energy Recovery Linacs or Free Electron Lasers. Despite their high quantum efficiency in visible light and low intrinsic emittance, the surface roughness of these photocathodes prohibits their use as low emittance cathodes in high accelerating gradient superconducting and normal conducting radio frequency photoguns and limits the minimum possible intrinsic emittance near the threshold. Also, the growth process for these materials is largely based on recipes obtained by trial and error and is very unreliable. In this paper, using X-ray diffraction, we investigate the different structural and chemical changes that take place during the growth process of the bi-alkali antimonide material K{sub 2}CsSb. Our measurements give us a deeper understanding of the growth process of alkali-antimonide photocathodes allowing us to optimize it with the goal of minimizing the surface roughness to preserve the intrinsic emittance at high electric fields and increasing its reproducibility.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Breakdown of superdiffusion in perturbed quantum integrable spin chains and ladders

Superdiffusive transport with dynamical exponent z=3/2 has been firmly established at finite temperature for a class of integrable systems with a non-Abelian global symmetry G. On the inclusion of integrability-breaking perturbations, diffusive transport with z=2 is generically expected to hold in the limit of late time. Recent studies of the classical Haldane-Ishimori-Skylanin model have found that perturbations that preserve the global symmetry lead to a much slower time scale for the onset of diffusion, albeit with uncertainty over the exact scaling exponent. That is, for perturbations of strength λ, the characteristic timescale for diffusion goes as t*∼λ−α for some α. Using large-scale matrix product state simulations, we investigate this behavior for perturbations to the canonical quantum model showing superdiffusion: the S=1/2 quantum Heisenberg chain. We consider a ladder configuration and look at various perturbations that either break or preserve the SU(2) symmetry, leading to scaling exponents consistent with those observed in one classical study [McCarthy , Phys. Rev. B 110, L180301 (2024)2469-995010.1103/PhysRevB.110.L180301]: α=2 for symmetry-breaking terms and α=6 for symmetry-preserving terms. We also consider perturbations from another integrable point of the ladder model with G=SU(4) and find consistent results. Finally, we consider a generalization to an SU(3) ladder and find that the α=6 scaling appears to be universal across superdiffusive systems when the perturbations preserve the non-Abelian symmetry G.

Wang, Kevin↗

DOE OSTI2019

Understanding Performance-Quality Trade-offs in Scientific Visualization Workflows with Lossy Compression

The cost of I/O is a significant challenge on current supercomputers, and the trend is likely to continue into the foreseeable future. This challenge is amplified in scientific visualization because of the requirement to consume large amounts of data before processing can begin. Lossy compression has become an important technique in reducing the cost of performing I/O. In this paper we consider the implications of using compressed data for visualization within a scientific workflow. We use visualization operations on simulation data that is reduced using three different state-of-the-art compression techniques. We study the storage efficiency and preservation of visualization features on the resulting compressed data, and draw comparisons between the three techniques used. Our contributions can help inform both scientists and researchers in the use and design of compression techniques for preservation of important visualization details.

Chen, Jieyang↗

DOE OSTI2013

A Comparison of Forecast Error Generators for Modeling Wind and Load Uncertainty

This paper presents four algorithms to generate random forecast error time series, including a truncated-normal distribution model, a state-space based Markov model, a seasonal autoregressive moving average (ARMA) model, and a stochastic-optimization based model. The error time series are used to create real-time (RT), hour-ahead (HA), and day-ahead (DA) wind and load forecast time series that statistically match historically observed forecasting data sets, used for variable generation integration studies. A comparison is made using historical DA load forecast and actual load values to generate new sets of DA forecasts with similar stoical forecast error characteristics. This paper discusses and compares the capabilities of each algorithm to preserve the characteristics of the historical forecast data sets.

Lu, Ning↗

DOE OSTI2025

Performance Evaluation of Vertical Federated Machine Learning Against Adversarial Threats on Wide-Area Control System: Preprint

Federated machine learning (FL) is gaining significant popularity to develop cybersecurity solutions in power grids because of its advanced capability to support decentralized data handing at local devices, its privacy preservation, and its low-bandwidth requirement. However, the evolving adversarial machine learning (AML) threats raise significant concerns for the cybersecurity of FL architectures. The FL-based split neural network (SplitNN) achieves high performance through the decentralized training of local neural network models while preserving data privacy across multiple entities. In this paper, we propose a methodology for evaluating the performance of a vertical FLbased anomaly detector against different types of AML attacks, including denial-of-service attacks, adversarial data injection attacks, and replay attacks on the trained local models deployed in the grid network. For a case study, we consider the modified IEEE 13-bus system, and we develop SplitNN-based binary and multiclass classification models to detect, locate, and identify different types of data integrity attacks on the volt-watt control with two pooling layers: maximum pooling and AvgPool. Our experimental results, computed through performance metrics, reveal that the severity of these AML attacks varies with the integrated pooling mechanism, the type of classification model, and the nature of the cyberattack. Further, the AML attacks negatively impacted the prediction time per sample for the pretrained SplitNN during the online testing.

adversarial threats↗

DOE OSTI2020

A genoscape–network model for conservation prioritization in a migratory bird

Migratory animals are declining worldwide and coordinated conservation efforts are needed to reverse current trends. We devised a novel genoscape-network model that combines genetic analyses with species distribution modeling and demographic data to overcome challenges with conceptualizing alternative risk factors in migratory species across their full annual cycle. We applied our method to the long distance, Neotropical migratory bird, Wilson's Warbler (Cardellina pusilla). Despite a lack of data from some wintering locations, we demonstrated how the results can be used to help prioritize conservation of breeding and wintering areas. For example, we showed that when genetic, demographic, and network modeling results were considered together it became clear that conservation recommendations will differ depending on whether the goal is to preserve unique genetic lineages or the largest number of birds per unit area. More specifically, if preservation of genetic lineages is the goal, then limited resources should be focused on preserving habitat in the California Sierra, Basin Rockies, or Coastal California, where the 3 most vulnerable genetic lineages breed, or in western Mexico, where 2 of the 3 most vulnerable lineages overwinter. Alternatively, if preservation of the largest number of individuals per unit area is the goal, then limited conservation dollars should be placed in the Pacific Northwest or Central America, where densities are estimated to be the highest. Overall, our results demonstrated the utility of adopting a genetically based network model for integrating multiple types of data across vast geographic scales and better inform conservation decision-making for migratory animals.

60 APPLIED LIFE SCIENCES↗