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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 109 records · Page 6

Engineering Precisely Controlled Negative and Zero Thermal Expansion Behaviors in Metal-Organic Frameworks

Positive thermal expansion can cause significant stress or even catastrophic device failure in applications where materials are placed in confined environments. At material interfaces such as coatings, thermal expansion effects can also lead to cracking and peeling behavior. The ability to impart controlled thermal expansion properties in an array of designs via additive manufacturing technologies would mitigate such problems and bring significant value to various materials science and engineering challenges. Negative thermal expansion materials are of interest for composite material applications whereby they can compensate for the behavior of a positive thermal expansion matrix. This Truman Fellowship LDRD research project presents complimentary experimental and molecular modeling results towards the fundamental understanding and development of metal-organic framework (MOF) materials with controlled thermal expansion properties. Design strategies for imparting precisely tailored negative, zero, and positive thermal expansion regimes in MOFs are studied and the implications of these design strategies for the use of MOFs as an emergent negative thermal expansion material class are examined. Challenges towards exploiting this nanoscale behavior at length scales relevant to composite material systems are introduced. ACKNOWLEDGEMENTS I will be forever grateful to the Truman Fellowship Selection Committee for providing me with the opportunity to pursue this research project. The unique opportunity to carry out this exciting scientific research with all of the resources and support that Sandia has to offer has been a truly rewarding experience. I would like to especially thank Yolanda Moreno for her endless assistance throughout my time as a Truman Fellow. It is hard to imagine a more supportive and stimulating scientific environment to carry out this research. I would also like to thank all of my colleagues and the individuals that have collaborated with me throughout this Fellowship, both internal and external to Sandia. Many of you appear as co-authors on the publications resulting from this LDRD, including especially fruitful collaborations with researchers at the Georgia Institute of Technology and the University of Amsterdam. I cannot express enough my gratitude for the significant role that you all played in shaping my educational experience and the success during my time at Sandia as a Truman Fellow.

36 MATERIALS SCIENCE↗

A Perspective on the Future of High Efficiency Engines

New fuel economy standards and emissions regulations are accelerating the development of new engine technologies, sensors, and on-board computing. These developments will enable unprecedented engine control, which will in turn enable real-world implementations of low temperature combustion, high-speed controls, and other high efficiency engine technologies. With this expanded flexibility in engine design and control, the challenge will now be the exponential increase in the design and calibration space and the need for the development of new simulations, optimization methods, and self-learning control methodologies. This manuscript provides historical and future perspectives on the opportunities and challenges of this unparalleled technology growth on the next generation of high efficiency engines.

Wagner, Robert M↗

Control Selection for the Neutralization Tank in the Aqueous Recovery System at the Savannah River Plutonium Processing Facility

The Aqueous Recovery System (ARS) at the Savannah River Plutonium Processing Facility (SRPPF) recovers and purifies plutonium (Pu) using aqueous chemistry techniques. The neutralization tanks in the ARS collect the waste streams, containing various impurities and greatly reduced concentrations of Pu, that are produced during aqueous processing. Criticality safety is primarily achieved in the ARS by using geometrically favorable process vessels. However, due to the geometry of neutralization tanks, each tank is administratively limited to no more than 450 g Pu, thus representing the transition from geometry to mass control. To ensure that this mass limit is not exceeded, an administrative control requires taking two samples of any solution to be sent to a neutralization tank. Normal operations are expected to result in less than 50 g Pu in a neutralization tank filled to its capacity of 250 L. Process upsets may cause an inadvertent transfer of up to 1000 g Pu to a neutralization tank, producing a system that is potentially not subcritical for all possible configurations of the tank. To ensure that a neutralization tank remains safety subcritical, passive engineered controls (e.g.changing tank geometry or adding fixed poisons), active engineered controls (e.g. interlocks), and administrative controls (e.g. soluble poisons and valve isolation) were considered and their viability evaluated. Ultimately, the team chose an administrative, dual-valve isolation strategy. This paper will thoroughly discuss the various control strategy options and why many of the options were not feasible for maintaining criticality safety.

Dressman, Phillip M. [Savannah River Nuclear Solut↗

Physically-based control-oriented modeling for turbocharged stoichiometric spark-ignited engine with cooled EGR and flexible VVT systems

Accurate estimation and prediction of engine gas exchange system and in-cylinder conditions are critical for spark-ignited engine control and diagnostic algorithm development. In this paper, a physically-based, control-oriented model for a 2.8 l turbocharged, variable valve timing (VVT) and low pressure (LP) exhaust gas recirculation (EGR)-utilizing SI engine was developed. The model includes the impact of modulation to any combination of 10 actuators, including the throttle valve, compressor bypass valve, fueling rate, waste-gate, LP EGR valve, number of deactivated cylinders, intake valve open (IVO) timing, intake valve close (IVC) timing, exhaust valve open (EVO) timing and exhaust valve close (EVC) timing. The accuracy of the model in capturing engine dynamics was demonstrated by validating it against high-fidelity engine GT-Power simulation results for various drive cycles, particularly emphasizing elevated loads. In comparison to the open literature, novel contributions of the effort described in this paper includes in-cylinder gas composition modeling and turbine-out pressure estimation.

Zhang, Xu↗

Draft Discharge Permit 1132 [Slides]

This presentation covers site hydrogeologic setting (including geologic setting and faults and fractures), groundwater monitoring for RLWTF, monitoring well locations, monitoring suite and frequency, quality of wells, and defense in depth – groundwater monitoring coupled with use of engineering controls and visual inspections. The objectives of groundwater monitoring are early detection of any future noncompliant releases, providing additional safety net to support extensive administrative and engineering controls, and monitoring to characterize extent of groundwater effected by noncompliant discharge.

54 ENVIRONMENTAL SCIENCES↗

Control Selection for the Neutralization Tank in the Aqueous Recovery System at the Savannah River Plutonium Processing Facility

The Aqueous Recovery System (ARS) at the Savannah River Plutonium Processing Facility (SRPPF) recovers and purifies plutonium (Pu) using aqueous chemistry techniques. The neutralization tanks in the ARS collect waste streams with various impurities and greatly reduced concentrations of Pu than are produced during aqueous processing. Criticality safety is primarily achieved in the ARS by using geometrically favorable process vessels. However, due to the geometry of neutralization tanks, each tank is administratively limited to no more than 450 g Pu, thus representing the transition from geometry to mass control. To ensure that this mass limit is not exceeded, an administrative control requires taking two samples of any solution to be sent to a neutralization tank. Normal operations are expected to result in less than 50 g Pu in a neutralization tank filled to its capacity of 250 L. Process upsets may cause an inadvertent transfer of up to 1000 g Pu to a neutralization tank, producing a system that is potentially not subcritical for all possible configurations of the tank. To ensure that a neutralization tank remains safety subcritical, passive engineered controls (e.g. changing tank geometry or adding fixed poisons), active engineered controls (e.g. interlocks), and administrative controls (e.g. soluble poisons and valve isolation) were considered and their viability evaluated. Ultimately, the team chose an administrative, dual-valve isolation strategy. This paper will thoroughly discuss the various control strategy options and why many of the options were not feasible for maintaining criticality safety.

Dressman, Phillip M. [Savannah River Nuclear Solut↗

Dissecting protein tyrosine phosphatase signaling by engineered chemogenetic control of its activity

Protein tyrosine phosphatases (PTPases) are critical mediators of dynamic cell signaling. A tool capable of identifying transient signaling events downstream of PTPases is essential to understand phosphatase function on a physiological time scale. We report a broadly applicable protein engineering method for allosteric regulation of PTPases. This method enables dissection of transient events and reconstruction of individual signaling pathways. Implementation of this approach for Shp2 phosphatase revealed parallel MAPK and ROCK II dependent pathways downstream of Shp2, mediating transient cell spreading and migration. Furthermore, we show that the N-SH2 domain of Shp2 regulates MAPK-independent, ROCK II-dependent cell migration. Engineered targeting of Shp2 activity to different protein complexes revealed that Shp2-FAK signaling induces cell spreading whereas Shp2-Gab1 or Shp2-Gab2 mediates cell migration. We identified specific transient morphodynamic processes induced by Shp2 and determined the role of individual signaling pathways downstream of Shp2 in regulating these events. Broad application of this approach is demonstrated by regulating PTP1B and PTP-PEST phosphatases.

59 BASIC BIOLOGICAL SCIENCES↗

Comparative Approach for Evaluating the Containment Performance of Legacy NM Storage Containers

Many different types of nuclear material storage containers are used throughout TA-55 and specifically PF-4, in some instances these containers are used outside of engineering control barriers in most cases these barriers are gloveboxes. When a container is used outside of a glovebox or open front hood the container itself is relied upon as the primary engineering control barrier for the user. For this reason a process must be established in order to evaluate Non- Manual Compliant or NMC containers used outside of a glovebox in a comparative approach against Manual compliant containers. Legacy containers are typically understood to be non-standards packaged prior to 1998. For the purposes of this document “legacy” refers to any non-Manual compliant containers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Effects of water addition on the combustion of iso -octane investigated in laminar flames, low-temperature reactors, and an HCCI engine

In this work, the effect of H 2 O injection on the combustion process of iso -octane was investigated with the aim to better understand the suitability of water addition as a potential engine control parameter for homogeneous-charge compression ignition (HCCI) combustion. Several experiments were combined including premixed low-pressure flames, a jet-stirred reactor (JSR) and a plug-flow reactor (PFR), both at atmospheric pressure, and a single-cylinder research engine (SCRE) operated with either iso -octane or RON 98 gasoline. The thermal effect of H 2 O addition was determined in laminar premixed iso -octane/O 2 /Ar flames (equivalence ratio $Φ$=1.4, 40 mbar) with H 2 O mole fractions of 0 to 0.22, where water addition reduced the temperature measured by laser-induced fluorescence (LIF) by up to 110 K. Speciation data were obtained from these flames as well as in the JSR ($Φ$=0.65, 933 mbar) and PFR experiments ($Φ$=0.65, 970 mbar) with and without H 2 O addition in the low- to intermediate temperature regime from 700–1100 K. The chemical analysis in these flame and reactor experiments was performed using molecular-beam mass spectrometry (MBMS) employing either electron ionization (EI) in the PFR and premixed flame or single-photon ionization (PI) by tunable vacuum-ultraviolet radiation in the JSR. The effects on species mole fractions were small which is supported by predictions from chemical-kinetic simulations. Quantitative speciation data of the exhaust gas of the SCRE were obtained by using Fourier-transform infrared (FTIR) spectroscopy. A very similar species pool was detected in the laboratory-scale experiments and for the engine operation. It is thus assumed that these results could assist in guiding both the improvement of fundamental chemical-kinetic as well as HCCI engine control models.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extremely small bandgaps, engineered by controlled multi-scale ordering in InAsSb

The relationship between the effective bandgap and the crystalline structure in ordered InAsSb material has been studied. Modulation of the As/Sb ratio was induced along the growth direction during molecular beam epitaxy, producing a strained layer superlattice. To enable the use of concentration ratios near unity in both layers in the period, the structures were grown with negligible net strain on a virtual substrate with a lattice constant considerably larger than that of GaSb. The bandgap line-up of InAsSb layers with different compositions is such that a type II superlattice is formed, which exhibits smaller bandgaps than either of the two constituents. It can also be smaller than the possible minimum direct-bandgap of the alloy. From observations of CuPt ordering in bulk layers with small amounts of strain of both signs, we postulate that strain is the main driving force for atomic ordering in InAsSb. Because the modulated structures exhibit small but opposing amounts of strain, both layers in the period exhibit ordering at the atomic scale throughout the structure. Since the strain can be controlled, the ordering can be controlled and sustained for arbitrary thick layers, unlike the situation in uniform bulk layers where the residual strain eventually leads to dislocation formation. This offers a unique way of using ordering at two different scales to engineer the band-structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Local Radiation Shielding Design Methodology

The NSLS-II accelerators are housed within a radiation enclosure of normal concrete (and in some places high density concrete) that has been designed to reduce the radiation generated from an assumed operational beam loss or bulk shielding current (BCS) from each accelerator. The beam loss model used to estimate the thickness of this bulk shielding, assumed a beam energy at the expected operating energy and a current loss based on reasonable assumptions for the fraction of the expected operating current. The thickness of the shield was determined to be the amount required to reduce the radiation outside the shield to a maximum dose rate of <0.5mrem/hr. for occupied areas for these normal operational losses. These assumed beam losses and the bulk shielding thicknesses required are given in reference. Abnormal operating conditions generating higher than normal beam losses must also be considered, and additional engineering controls will be required depending on the magnitude of the radiation levels generated during the abnormal condition. Additional local shielding subject to configuration control may be utilized to reduce radiation levels associated with these abnormal loss conditions. Interlocked area radiation monitors are another means to prevent continued operation with higher than an acceptable level. The NSLS-II Shielding Policy requires that an engineered system be utilized to mitigate an abnormal condition producing radiation levels greater than 100 mR/h, and that two systems are required if the projected radiation levels during a fault condition are > 2000 mR/h. It is intended that shielding limits the dose rate to < 0.5 mR/h in occupied areas for normal operational losses, and the combination of administrative and engineered controls for abnormal losses will maintain radiation exposure to trained personnel working at the NSLS-II facility to as low as reasonably achievable. It is anticipated that all individual exposures will be well within the planned administrative control level of 100mrem/year.

36 MATERIALS SCIENCE↗

IEA Wind Task 32 and Task 37: Optimizing Wind Turbines with Lidar-Assisted Control Using Systems Engineering

Lidar-assisted control is a promising technology for reducing the levelized cost of energy from wind turbines, but quantifying its impact at the overall system level requires sophisticated systems engineering analysis and optimization frameworks. The joint workshop on Optimizing Wind Turbines with Lidar-Assisted Control Using Systems Engineering was held by the International Energy Agency Wind Task 32 (Lidar) and Task 37 (Systems Engineering) in October 2019 to address this challenge. This paper summarizes the outcome of the workshop and presents a road map for further research. The most promising applications of lidar-assisted control identified at the workshop and discussed here include 1) increasing annual energy production, 2) decreasing capital expenditure costs by reducing design loads, 3) extending turbine lifetime by reducing operating loads, and 4) enabling wind turbine class upgrades. For each application, we review the state of the art and highlight remaining research needs. Finally, we discuss strategies for addressing these research needs by conducting high-fidelity systems engineering optimizations.

17 WIND ENERGY↗

On-Board Particulate Filter Failure Prevention and Failure Diagnostics Using Radio Frequency Sensing

The increasing use of diesel and gasoline particulate filters requires advanced on-board diagnostics (OBD) to prevent and detect filter failures and malfunctions. Early detection of upstream (engine-out) malfunctions is paramount to preventing irreversible damage to downstream aftertreatment system components. Such early detection can mitigate the failure of the particulate filter resulting in the escape of emissions exceeding permissible limits and extend the component life. However, despite best efforts at early detection and filter failure prevention, the OBD system must also be able to detect filter failures when they occur. In this paper, radio frequency (RF) sensors were used to directly monitor the particulate filter state of health for both gasoline particulate filter (GPF) and diesel particulate filter (DPF) applications. The testing included controlled engine dynamometer evaluations, which characterized soot slip from various filter failure modes, as well as on-road fleet vehicle tests. The results show a high sensitivity to detect conditions resulting in soot leakage from the particulate filter, as well as potential for direct detection of structural failures including internal cracks and melted regions within the filter media itself. Finally and furthermore, the measurements demonstrate, for the first time, the capability to employ a direct and continuous monitor of particulate filter diagnostics to both prevent and detect potential failure conditions in the field.

42 ENGINEERING↗

Enhanced homology-directed human genome engineering by controlled timing of CRISPR/Cas9 delivery

The CRISPR/Cas9 system is a robust genome editing technology that works in human cells, animals and plants based on the RNA-programmed DNA cleaving activity of the Cas9 enzyme. Building on previous work ( Jinek et al., 2013 ), we show here that new genetic information can be introduced site-specifically and with high efficiency by homology-directed repair (HDR) of Cas9-induced site-specific double-strand DNA breaks using timed delivery of Cas9-guide RNA ribonucleoprotein (RNP) complexes. Cas9 RNP-mediated HDR in HEK293T, human primary neonatal fibroblast and human embryonic stem cells was increased dramatically relative to experiments in unsynchronized cells, with rates of HDR up to 38% observed in HEK293T cells. Sequencing of on- and potential off-target sites showed that editing occurred with high fidelity, while cell mortality was minimized. This approach provides a simple and highly effective strategy for enhancing site-specific genome engineering in both transformed and primary human cells.

Life Sciences & Biomedicine - Other Topics↗

Towards Off-policy Evaluation as a Prerequisite for Real-world Reinforcement Learning in Building Control

We present an initial study of off-policy evaluation (OPE), a problem prerequisite to real-world reinforcement learning (RL), in the context of building control. OPE is the problem of estimating a policy's performance without running it on the actual system, using historical data from the existing controller. It enables the control engineers to ensure a new, pretrained policy satisfies the performance requirements and safety constraints of a real-world system, prior to interacting with it. While many methods have been developed for OPE, no study has evaluated which ones are suitable for building operational data, which are generated by deterministic policies and have limited coverage of the state-action space. After reviewing existing works and their assumptions, we adopted the approximate model (AM) method. Furthermore, we used bootstrapping to quantify uncertainty and correct for bias. In a simulation study, we evaluated the proposed approach on 10 policies pretrained with imitation learning. On average, the AM method estimated the energy and comfort costs with 1.84% and 14.1% error, respectively.

Chen, B↗

Artificial Spin Ice: Controlling Geometry, Engineering Frustration

Frustration – the presence of competing interactions – is ubiquitous in the physical sciences and is a source of degeneracy and disorder, which in turn give rise to new and interesting physical phenomena. Perhaps nowhere does it occur more simply than in correlated spin systems, where it has been studied in the most detail. In disordered magnetic materials, frustration leads to spin-glass phenomena, with analogies to the behavior of structural glasses and neural networks. In structurally ordered magnetic materials, it has also been the topic of extensive theoretical and experimental studies over the past two decades. Such geometrical frustration has opened a window on a wide range of fundamentally new exotic behavior. This includes spin liquids in which the spins continue to fluctuate down to the lowest temperatures; and spin ice, which appears to retain macroscopic entropy even in the low temperature limit where it enters a topological Coulomb phase. In the past seven years a new perspective has opened in the study of frustration through the creation of artificial frustrated magnetic systems. These materials consist of arrays of lithographically fabricated single-domain ferromagnetic nanostructures that behave like giant Ising spins. The nanostructures’ interactions can be controlled through appropriate choices of their geometric properties and arrangement on a (frustrated) lattice. The degrees of freedom of the material can not only be directly tuned, but also individually observed. Experimental studies have unearthed intriguing connections to the out-of-equilibrium physics of disordered systems and non-thermal ‘granular’ materials, while revealing strong analogies to (spin) ice materials and their fractionalized magnetic monopole excitations, lending the enterprise a distinctly interdisciplinary flavor. The experimental results have also been closely coupled to theoretical and computational analyses, facilitated by connections to classic models of frustrated magnetism, whose hitherto unobserved aspects have here found an experimental realization. We review the considerable experimental and theoretical progress in this field, including connections to other frustrated phenomena, and we outline future vistas for progress in this rapidly expanding field.

36 MATERIALS SCIENCE↗

Route-vehicle road load management and/or operator notification thereof

A vehicle may include a controller configured to control the vehicle to operate in an active control mode or a passive control mode. In the passive control mode, the controller may provide a feedback indicator on a human machine interface. In the active control mode, the controller may provide a control command to an engine control unit.

42 ENGINEERING↗