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DOE OSTI2016

On the adaptivity and complexity embedded into differential evolution

This research deals with the comparison of the two modern approaches for evolutionary algorithms, which are the adaptivity and complex chaotic dynamics. This paper aims on the investigations on the chaos-driven Differential Evolution (DE) concept. This paper is aimed at the embedding of discrete dissipative chaotic systems in the form of chaotic pseudo random number generators for the DE and comparing the influence to the performance with the state of the art adaptive representative jDE. This research is focused mainly on the possible disadvantages and advantages of both compared approaches. Repeated simulations for Lozi map driving chaotic systems were performed on the simple benchmark functions set, which are more close to the real optimization problems. Obtained results are compared with the canonical not-chaotic and not adaptive DE. Results show that with used simple test functions, the performance of ChaosDE is better in the most cases than jDE and Canonical DE, furthermore due to the unique sequencing in CPRNG given by the hidden chaotic dynamics, thus better and faster selection of unique individuals from population, ChaosDE is faster.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Projected density matrix embedding theory with applications to the two-dimensional Hubbard model

Density matrix embedding theory (DMET) is a quantum embedding theory for strongly correlated systems. From a computational perspective, one bottleneck in DMET is the optimization of the correlation potential to achieve self-consistency, especially for heterogeneous systems of large size. We introduce a new approach, called projected DMET (p-DMET), which achieves self-consistency without needing to optimize the correlation potential. We demonstrate the performance of p-DMET on the two-dimensional Hubbard model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

HAM: Hotspot-Aware Manager for Improving Communications with 3D-Stacked Memory

merging High-Performance Computing (HPC) workloads, such as graph analytics, machine learning, and big data science, are data-intensive. Data-intensive workloads usually present fine-grained memory accesses with limited or no data locality, and thus incur frequent cache misses and low utilization of memory bandwidth. 3D-stacked memory devices such as Hybrid Memory Cube (HMC) and High Bandwidth Memory (HBM) can provide significantly higher bandwidth than conventional memory modules. However, the traditional interfaces and optimization methods for JEDEC DDR devices do not allow to fully exploit the potential performance of 3D-stacked memory with the massive amount of irregular memory accesses of data-intensive applications. In this paper, we propose a novel Hotspot-Aware Manager (HAM) infrastructure for 3D-stacked memory devices capable of optimizing memory access streams via request aggregation, hotspot detection, and in-memory prefetching. %and an associated hotspot-aware page policy. We present the HAM design and implementation, and simulate it on a system using RISC-V embedded cores with attached HMC devices. We extensively evaluate HAM with over 12 benchmarks and applications representing diverse irregular memory access patterns. The results show that, on average, HAM reduces redundant requests by 37.51\% and increases the prefetch buffer hit rate by 4.2 times, compared to a baseline streaming prefetcher. On the selected benchmark set, HAM provides performance gains of 21.81\% in average (up to 34.28\%) and power savings of 35.07\% over a standard 3D-stacked memory.

Wang, Xi↗

DOE OSTI2023

Single-Phase Jet Impingement Cooling for a Power-Dense Silicon Carbide Power Module

The adoption of silicon carbide (SiC) devices in the electric vehicle (EV) industry is increasing due to their superior performance over silicon devices. SiC devices enable further miniaturization of EV inverters, increasing their power density, which results in thermal management challenges. Here in this paper, the limits of single-phase jet impingement cooling are explored for an automotive SiC power module. We propose embedding pin fins in the direct-bonded-copper (DBC) substrate of the power module package using laser powder bed fusion additive manufacturing. The thermalhydraulic performance of the DBC-embedded pin fins is compared against folded fins that are directly soldered to the DBC substrate. A heat conduction analysis was conducted on a SiC package to determine the target heat transfer coefficient (HTC) for the heat sink. A water-ethylene glycol (WEG) jet impingement on the proposed concepts was studied using unit-cell models to achieve the target HTC. The studied designs put emphasis on the reliability and manufacturability requirements of the automotive industry. The thermal performance of DBC-embedded pin fins outperformed the DBC-soldered folded fins. The performance of the DBC-embedded pin fins is benchmarked against WEG-based cooling systems of commercial EVs. With the proposed cooling solution, we have shown a pathway of reducing the specific thermal resistance by 75% compared to BMW i3 thermal management system without any penalty on pressure drop or parasitic power.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2015

High aspect ratio iridescent three-dimensional metal–insulator–metal capacitors using atomic layer deposition

The authors report on the structural and electrical properties of TiN/Al{sub 2}O{sub 3}/TiN metal–insulator–metal (MIM) capacitor structures in submicron three-dimensional (3D) trench geometries with an aspect ratio of ∼30. A simplified process route was employed where the three layers for the MIM stack were deposited using atomic layer deposition (ALD) in a single run at a process temperature of 250 °C. The TiN top and bottom electrodes were deposited via plasma-enhanced ALD using a tetrakis(dimethylamino)titanium precursor. 3D trench devices yielded capacitance densities of 36 fF/μm{sup 2} and quality factors >65 at low frequency (200 Hz), with low leakage current densities (<3 nA/cm{sup 2} at 1 V). These devices also show strong optical iridescence which, when combined with the covert embedded capacitance, show potential for system in package (SiP) anticounterfeiting applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Carbon Corrosion in Polymer Electrolyte Fuel Cells: A Complex Interplay between Morphological Changes and Electrochemical Performance

Due to the high gravimetric energy density of hydrogen, the focus of implementation of polymer electrolyte fuel cells (PEFCs) has shifted from light duty passenger vehicles to heavy duty vehicles such as buses, trucks, locomotives and marine vessels. A mechanistic understanding of degradation is therefore necessary to improve durability and efficiency. During start-up and shut-down (SUSD) of PEFC systems, the catalyst (Pt nanoparticles embedded on carbon support) undergoes local potentials ~ 1 - 1.5 V caused by a combination of fuel (H 2 ) starvation, mixed fuel region and cell reversal. This leads to a series of degradation phenomenon including reduction in cathode catalyst layer (cCL) thickness and porosity, loss in electrochemical surface area (ECSA), ionomer degradation and loss in electrical contact, therefore resulting in severe performance loss. The convoluted relationship between these individual degradation mechanisms, their chronology and their effects on electrochemical performance are yet unresolved. Here, the complex interplay between morphological changes due to carbon corrosion and its effects on the electrochemical performance were analyzed using a combination of detailed electrochemical characterization, spectroscopy, and electron microscopy techniques.

25 ENERGY STORAGE↗

DOE OSTI2014

Offner radial group delay compensator for ultra-broadband laser beam transport

Conventional lens-based image relays introduce radial group delay that significantly reduces focal-spot intensity of ultra-broadband short pulses. A direct compensation scheme that can be used with conventional singlet image relays is proposed. The compensation scheme is based on using two negative lenses embedded within an Offner imaging system. The setup allows a single-pass configuration and eliminates the need for polarization switching optics. The performance of this setup is calculated using ray tracing. The compensation improves the spatiotemporal Strehl ratio from 0.02 to 0.97.

Bahk, Seung-Whan↗

DOE OSTI2019

ASCR Workshop on In Situ Data Management: Enabling Scientific Discovery from Diverse Data Sources

In January 2019, the U.S. Department of Energy, Office of Science program in Advanced Scientific Computing Research, convened a workshop to identify priority research directions for in situ data management (ISDM). The workshop defined ISDM as the practices, capabilities, and procedures to control the organization of data and enable the coordination and communication among heterogeneous tasks, executing simultaneously in a high-performance computing system, cooperating toward a common objective. The workshop revealed two primary, interdependent motivations for processing and managing data in situ. The first motivation is that the in situ methodology enables scientific discovery from a broad range of data sources over a wide scale of computing platforms: leadership-class systems, clusters, clouds, workstations, and embedded devices at the edge. The successful development of ISDM capabilities will benefit real-time decision-making, design optimization, and data-driven scientific discovery. The second motivation is the need to decrease data volumes. ISDM can make critical contributions to managing large data volumes from computations and experiments to minimize data movement, save storage space, and boost resource efficiency, often while simultaneously increasing scientific precision. A fundamental finding of this workshop is that the methodologies used to manage data among a variety of tasks in situ can be used to facilitate scientific discovery from many different data sources—simulation, experiment, and sensors, for example—and that being able to do so at numerous computing scales will benefit real-time decision-making, design optimization, and data-driven scientific discovery across the Office of Science mission space. Applications wanting to use the in situ capabilities include those where data analysis feeds back to the simulation, decisions are made autonomously, big data or machine learning is among the tasks to be coordinated, and computations need to be completed in real time. The workshop identified six priority research directions that highlight the components and capabilities needed for ISDM to be successful for the wide variety of applications discussed: making ISDM capabilities more pervasive, controllable, composable, and transparent, with a focus on greater coordination with the software stack and a diversity of fundamentally new data algorithms.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

ASCR Workshop on In Situ Data Management

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2015

Modeling dust as component minerals in the Community Atmosphere Model: development of framework and impact on radiative forcing

The mineralogy of desert dust is important due to its effect on radiation, clouds and biogeochemical cycling of trace nutrients. This study presents the simulation of dust radiative forcing as a function of both mineral composition and size at the global scale, using mineral soil maps for estimating emissions. Externally mixed mineral aerosols in the bulk aerosol module in the Community Atmosphere Model version 4 (CAM4) and internally mixed mineral aerosols in the modal aerosol module in the Community Atmosphere Model version 5.1 (CAM5) embedded in the Community Earth System Model version 1.0.5 (CESM) are speciated into common mineral components in place of total dust. The simulations with mineralogy are compared to available observations of mineral atmospheric distribution and deposition along with observations of clear-sky radiative forcing efficiency. Based on these simulations, we estimate the all-sky direct radiative forcing at the top of the atmosphere as + 0.05 Wm −2 for both CAM4 and CAM5 simulations with mineralogy. We compare this to the radiative forcing from simulations of dust in release versions of CAM4 and CAM5 (+0.08 and +0.17 Wm −2 ) and of dust with optimized optical properties, wet scavenging and particle size distribution in CAM4 and CAM5, −0.05 and −0.17 Wm −2 , respectively. The ability to correctly include the mineralogy of dust in climate models is hindered by its spatial and temporal variability as well as insufficient global in situ observations, incomplete and uncertain source mineralogies and the uncertainties associated with data retrieved from remote sensing methods.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Energy Management and Product Sustainability Standards – A Key Link to Sustainable Supply Chains

Reducing supplier energy consumption can be critical to creating more sustainable and resilient supply chains, and can be achieved by embedding criteria for energy management systems into product sustainability standards. Manufacturers across the globe are taking steps to reduce their greenhouse gas emissions and become more sustainable. Large industrial corporations rightly tout their efforts and successes. However, their upstream emissions, that is, the emissions from companies supplying components, are more difficult to address. These supplier companies are often smaller manufacturers with limited awareness or incentives to reduce emissions. Within the electronics industry, a diverse group of stakeholders is seeking to make the electronics sector more sustainable and resilient through product sustainability standards. The U.S. Department of Energy is engaged in these endeavors, including efforts to reduce supplier energy consumption by incorporating criteria into these sustainability standards that encourage the adoption of energy management systems and practices. Such activity within the electronics sector can be a significant component of a broader resilience roadmap for the sector’s supply chain. This paper highlights the efforts to embed energy management practices into electronics products supply chains to build resilience, and presents a business case using examples from U.S. manufacturers that can be replicable to other manufacturing sectors.

Tutterow, Vestal↗

DOE OSTI2013

Reactor transient analyses with KIN3D/PARTISN

Efforts are going on at the Karlsruhe Institute of Technology (KIT) to extend the kinetics capability of the PARTISN code in order to run in parallel two- and three-dimensional transient analyses with the quasistatic method, while taking into account delayed neutrons. In the original code version, time-dependent transport problems are solved by employing a semi-implicit direct kinetics option, the delayed neutrons being not taken into account. The PARTISN 5.97 code has been extended and then coupled with KIN3D, a time-dependent model embedded in the ERANOS code system. In the coupled code, PARTISN 5.97 is used as neutron transport solver to perform transient analyses while employing direct and quasi-static kinetics options of KIN3D. The coupled code can be also applied for first-order and exact perturbation theory calculations. In the paper, the PARTISN 5.97 extensions and coupling procedure are described and the performances of the KIN3D/PARTISN coupled code are investigated by analyzing transients induced by a source-jerk in a three-dimensional ADS model driven by an external source. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Frequency Control and Disturbance Containment Using Grid-Forming Embedded Storage Networks

The paper presents a distributed approach for operating a network of inverter-based energy storage resources embedded in a bulk power system. Departing from their traditional role of steady-state reserves, the storage assets in the network are utilized as frequency-responsive resources shaping system dynamics. The power electronics converter systems interfacing the storage resources are equipped with local controllers designed to respond under transient disturbances. To this end, a safety-constrained distributed control strategy is explored. The paper compares the performance of converter-interfaced grid-forming and grid-following storage networks for fast frequency control and disturbance containment/localization. Sensitivity studies are performed to study the impact of storage size, steady-state dispatch, and controller design on dynamic performance. The findings are presented through case studies with results from the IEEE test systems.

Chatterjee, Kaustav (ORCID:0000000153273860)↗

DOE OSTI2021

Self-biased magnetoelectric switching at room temperature in three-phase ferroelectric–antiferromagnetic–ferrimagnetic nanocomposites

Magnetoelectric systems could be used to develop magnetoelectric random access memory and microsensor devices. One promising system is the two-phase 3-1-type multiferroic nanocomposite in which a one-dimensional magnetic column is embedded in a three-dimensional ferroelectric matrix. However, it suffers from a number of limitations including unwanted leakage currents and the need for biasing with a magnetic field. Here we show that the addition of an antiferromagnet to a 3-1-type multiferroic nanocomposite can lead to a large, self-biased magnetoelectric effect at room temperature. Our three-phase system is composed of a ferroelectric Na 0.5 Bi 0.5 TiO 3 matrix in which ferrimagnetic NiFe 2 O 4 nanocolumns coated with antiferromagnetic p-type NiO are embedded. This system, which is self-assembled, exhibits a magnetoelectric coefficient of up to 1.38 × 10 –9 s m –1 , which is large enough to switch the magnetic anisotropy from the easy axis (K eff = 0.91 × 10 4 J m –3 ) to the easy plane (K eff = –1.65 × 10 4 J m –3 ).

42 ENGINEERING↗

DOE OSTI2012

Complex oxides useful for thermoelectric energy conversion

The invention provides for a thermoelectric system comprising a substrate comprising a first complex oxide, wherein the substrate is optionally embedded with a second complex oxide. The thermoelectric system can be used for thermoelectric power generation or thermoelectric cooling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

ADVANTG Results for a Proposed NDA System for Detecting Pin Diversion from SNF - Paper 120

This summary describes the results of applying the ADVANTG variance reduction parameter generator to accelerate continuous-energy Monte Carlo simulations of the {sup 252}Cf Interrogation with Prompt Neutron (CIPN) detection system proposed by Hu et al. for detecting the diversion of fuel elements from spent nuclear fuel (SNF) assemblies. In previous work, ADVANTG was applied to a suite of nine radiation detection, special nuclear material (SNM) movement detection, and safeguards test cases. That effort demonstrated that ADVANTG was able to provide large increases in tally figures of merit (FOMs) in nearly all of the cases without introducing bias into the Monte Carlo results. The objective of the work described here is to further evaluate ADVANTG, and also to identify gaps in capability with regard to nuclear safeguards applications, by applying the code to a challenging problem that is of a different nature from the ones previously studied. The CIPN nondestructive assay (NDA) system consists of three fission chambers embedded in a C-shaped block of polyethylene and a polyethylene-moderated {sup 252}Cf source that are placed on opposite sides of a subject SNF assembly. The idea of the detection system is to measure the difference between the background neutron count rate, due to spontaneous fission in the fuel material, and the count rate observed once the source is introduced, which is dominated by multiplication within the assembly. Based on the difference between these count rates, the fissile content of the assembly can be inferred, and this information can be used to determine if some fraction of the original fuel pins have been replaced with depleted uranium substitutes. The authors report that the system can detect the replacement of at least eight pins (3% of total mass). The ADVANTG code generates space- and energy-dependent weight-window bounds and biased source distributions based on approximate transport solutions that are efficiently generated by the Denovo 3-D discrete ordinates package. ADVANTG implements the Consistent Adjoint Driven Importance Sampling (CADIS) method for accelerating individual tallies and the Forward-Weighted CADIS (FW-CADIS) method for obtaining relatively uniform uncertainties across tallies over multiple regions and/or energy bins. The variance reduction parameters are generated in a format directly usable by standard versions of MCNP5 and MCNPX. In this work, the ADVANTG variance reduction parameter generator was applied to accelerate continuous energy MCNPX simulations of the {sup 252}Cf Interrogation with Prompt Neutron detection system for detecting the diversion of fuel elements from SNF assemblies. Variance reduction parameters generated with the existing version of ADVANTG actually slowed down tally convergence in all cases. The cause of the poor performance was found to be the lack of an induced fission source treatment in the fixed-source discrete ordinates calculations employed by ADVANTG. Because fission was treated as capture and not as a source, the importance maps generated by ADVANTG significantly underestimated the importance of thermal neutrons in and around the fuel elements. In order to obtain improved results, we developed an experimental implementation of a fission source outer iteration for the adjoint calculations. We used this prototype capability to generate new variance reduction parameters and found that the mean fission rates agreed well with those predicted by the conventional MCNPX simulations, as was expected. With these new parameters, speedup factors of 59 to 80 were obtained for the case with the background source, and factors of 17 to 24 were obtained for the cases with the interrogating source. These results demonstrate that a fission source treatment is needed to improve the effectiveness of ADVANTG in problems where the effects of induced fission are important. This includes many types of NDA problems that are relevant to safeguards applications. (authors)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2016

Control system renewal for efficient operation in RIKEN 18 GHz electron cyclotron resonance ion source

A RIKEN 18 GHz electron cyclotron resonance ion source (18 GHz ECRIS) is used as an external ion source at the Radioactive Ion Beam Factory (RIBF) accelerator complex to produce an intense beam of medium-mass heavy ions (e.g., Ca and Ar). In most components that comprise the RIBF, the control systems (CSs) are integrated by the Experimental Physics and Industrial Control System (EPICS). On the other hand, a non-EPICS-based system has hardwired controllers, and it is used in the 18 GHz ECRIS CS as an independent system. In terms of efficient and effective operation, the 18 GHz ECRIS CS as well as the RIBF CS should be renewed using EPICS. Therefore, we constructed an 18 GHz ECRIS CS by using programmable logic controllers with embedded EPICS technology. In the renewed system, an operational log system was developed as a new feature, for supporting of the 18 GHz ECRIS operation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

A Novel Dosimetry Method for Small Animal Irradiators Using 3D-printed Mouse Phantoms and Alanine Dosimeters

Abstract Accurate dosimetry is a crucial component of small animal and preclinical irradiation studies. Various dosimetry options are available but fail to characterize complex geometries and variable energy spectra of modern x-ray irradiators accurately. These options also lack national/international standards of recognition. This paper presents a novel dosimetry system, Dosequate, which uses murine phantoms embedded with alanine dosimeters and paired with x-ray energy spectra corrections to deliver consistent and accurate dosimetry measurements. This study compares Dosequate measurements against a Precision X-RAD 320 internal ion chamber and the treatment planning system of an Xstrahl Small Animal Radiation Research Platform. Results demonstrate the accuracy and reproducibility of the Dosequate system, highlighting its potential for standardizing dosimetry in preclinical research throughout the industry. Results demonstrate the accuracy and reproducibility of the Dosequate system, highlighting its potential for standardizing dosimetry in preclinical research throughout the industry. The Dosequate dosimetry method provides a robust and standardized approach for measuring absorbed dose in small animal irradiators. Its accuracy, reproducibility, and ability to account for complex irradiation geometries make it a valuable tool for preclinical research. This system has the potential to significantly improve the intercomparability of studies across different facilities and enhance the reliability of results.

Environmental Sciences & Ecology↗