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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Effect of High-Protein Diets on Integrated Myofibrillar Protein Synthesis before Anterior Cruciate Ligament Reconstruction: A Randomized Controlled Pilot Study

Increasing dietary protein intake during periods of muscle disuse may mitigate the resulting decline in muscle protein synthesis (MPS). The purpose of this randomized pilot study was to determine the effect of increased protein intake during periods of disuse before anterior cruciate ligament (ACL) reconstruction on myofibrillar protein synthesis (MyoPS), and proteolytic and myogenic gene expression. Six healthy, young males (30 ± 9 y) were randomized to consume a high-quality, optimal protein diet (OP; 1.9 g·kg−1·d−1) or adequate protein diet (AP; 1.2 g·kg−1·d−1) for two weeks before ACL reconstruction. Muscle biopsies collected during surgery were used to measure integrated MyoPS during the intervention (via daily deuterium oxide ingestion) and gene expression at the time of surgery. MyoPS tended to be higher, with a large effect size in OP compared to AP (0.71 ± 0.1 and 0.54 ± 0.1%·d−1; p = 0.076; g = 1.56). Markers of proteolysis and myogenesis were not different between groups (p > 0.05); however, participants with greater MyoPS exhibited lower levels of MuRF1 gene expression compared to those with lower MyoPS (r = −0.82, p = 0.047). The data from this pilot study reveal a potential stimulatory effect of increased daily protein intake on MyoPS during injury-mediated disuse conditions that warrants further investigation.

Howard, Emily E. (ORCID:0000000179791236)↗
NASA NTRS1978

Characteristics of an Air Cushion Landing System incorporating an inelastic trunk

A series of static and dynamic tests performed on an Air Cushion Landing System (ACLS) incorporating inelastic trunk are described. The tests were performed on an apparatus which had provisions to isolate heave-pitch and roll motion on the prototype cushion. The results of the test show that the sides of the trunk behave differently from the trunk ends. The tests also demonstrate that the current ACLS designs suffer from low heave damping, low roll stiffness and fan stall problems.

Boghani, A. B.↗
NASA NTRS1988

A direct-execution parallel architecture for the Advanced Continuous Simulation Language (ACSL)

A direct-execution parallel architecture for the Advanced Continuous Simulation Language (ACSL) is presented which overcomes the traditional disadvantages of simulations executed on a digital computer. The incorporation of parallel processing allows the mapping of simulations into a digital computer to be done in the same inherently parallel manner as they are currently mapped onto an analog computer. The direct-execution format maximizes the efficiency of the executed code since the need for a high level language compiler is eliminated. Resolution is greatly increased over that which is available with an analog computer without the sacrifice in execution speed normally expected with digitial computer simulations. Although this report covers all aspects of the new architecture, key emphasis is placed on the processing element configuration and the microprogramming of the ACLS constructs. The execution times for all ACLS constructs are computed using a model of a processing element based on the AMD 29000 CPU and the AMD 29027 FPU. The increase in execution speed provided by parallel processing is exemplified by comparing the derived execution times of two ACSL programs with the execution times for the same programs executed on a similar sequential architecture.

Carroll, Chester C.↗
NASA NTRS2002

Enthalpy By Energy Balance for Aerodynamic Heating Facility at NASA Ames Research Center Arc Jet Complex

The NASA Ames Research Center (ARC) Arc Jet Facilities' Aerodynamic Heating Facility (AHF) has been instrumented for the Enthalpy By Energy Balance (EB2) method. Diagnostic EB2 data is routinely taken for all AHF runs. This paper provides an overview of the EB2 method implemented in the AHF. The chief advantage of the AHF implementation over earlier versions is the non-intrusiveness of the instruments used. For example, to measure the change in cooling water temperature, thin film 1000 ohm Resistance Temperature Detectors (RTDs) are used with an Anderson Current Loop (ACL) as the signal conditioner. The ACL with 1000 ohm RTDs allows for very sensitive measurement of the increase in temperature (Delta T) of the cooling water to the arc heater, which is a critical element of the EB2 method. Cooling water flow rates are measured with non-intrusive ultrasonic flow meters.

Hightower, T. Mark↗
NASA NTRS2004

Cardiopulmonary Resuscitation in Microgravity: Efficacy in the Swine During Parabolic Flight

INTRODUCTION: The International Space Station will need to be as capable as possible in providing Advanced Cardiac Life Support (ACLS) and cardiopulmonary resuscitation (CPR). Previous studies with manikins in parabolic microgravity (0 G) have shown that delivering CPR in microgravity is difficult. End tidal carbon dioxide (PetCO2) has been previously shown to be an effective non-invasive tool for estimating cardiac output during cardiopulmonary resuscitation. Animal models have shown that this diagnostic adjunct can be used as a predictor of survival when PetCO2 values are maintained above 25% of pre-arrest values. METHODS: Eleven anesthetized Yorkshire swine were flown in microgravity during parabolic flight. Physiologic parameters, including PetCO2, were monitored. Standard ACLS protocols were used to resuscitate these models after chemical induction of cardiac arrest. Chest compressions were administered using conventional body positioning with waist restraint and unconventional vertical-inverted body positioning. RESULTS: PetCO2 values were maintained above 25% of both 1-G and O-G pre-arrest values in the microgravity environment (33% +/- 3 and 41 +/- 3). No significant difference between 1-G CPR and O-G CPR was found in these animal models. Effective CPR was delivered in both body positions although conventional body positioning was found to be quickly fatiguing as compared with the vertical-inverted. CONCLUSIONS: Cardiopulmonary resuscitation can be effectively administered in microgravity (0 G). Validation of this model has demonstrated that PetCO2 levels were maintained above a level previously reported to be predictive of survival. The unconventional vertical-inverted position provided effective CPR and was less fatiguing as compared with the conventional body position with waist restraints.

Weightlessness↗
NASA NTRS2014

Software Development for Remote Control and Firing Room Displays

The Launch Control System (LCS) developed at NASA's Kennedy Space Center (KSC) will be used to launch future spacecraft. Two of the many components of this system are the Application Control Language (ACL) and remote displays. ACL is a high level domain specific language that is used to write remote control applications for LCS. Remote displays are graphical user interfaces (GUIs) developed to display vehicle and Ground Support Equipment (GSE) data, they also provide the ability to send commands to control GSE and the vehicle. The remote displays and the control applications have many facets and this internship experience dealt with several of them.

LCS↗
NASA NTRS2020

Emerging and Re-Emerging Leishmaniases in the Mediterranean Area: What Can Be Learned from a Retrospective Review Analysis of the Situation in Morocco during 1990 to 2010?

In Morocco, cutaneous and visceral leishmaniases represent a public health concern. In this opinion paper, we propose to highlight chosen elements that have governed the drastic increase in the incidence of leishmaniases recorded in Morocco during the period between 1990 to 2010 in order to guide the prediction of the expansion of diseases and epidemic events. We highlight that the dispersion of the zoonotic cutaneous leishmaniasis (ZCL) form, caused by the Leishmania major parasite, appears to be closely related to that of its arthropod vector density, which is sensitive to changes in climate. The dissemination of anthroponotic cutaneous leishmaniasis (ACL) was related to an increase in human travel and local tourism during the studied decades. These are linked to economic expansion and infrastructure development. Interestingly, the main ACL foci are spatially aligned with the highways, and their occurrence was synchronized with the building of transportation infrastructure. During the above-mentioned decades, the zoonotic visceral leishmaniasis (ZVL)caused by Leishmania infantum has expanded from its historical northern territories, dispersing outwards in all directions. This spread follows the emergence of hamlets and villages connecting with major cities.

leishmaniases↗
DOE OSTI2019

Designing a Site Closure Strategy for Uranium in Groundwater and Surface Water - 19534

A site closure strategy was designed and mapped for residual uranium present in groundwater and surface water at the US DOE Office of Legacy Management (LM) Monticello Mill Tailings Site (MMTS) Operable Unit (OU) III, which is regulated under CERCLA. The MMTS is a former mill site that was used to process uranium and vanadium ore in southeastern Utah until 1960. OU III includes surface water in Montezuma Creek and groundwater present in a shallow alluvial aquifer along the creek valley for several kilometers downgradient of the former mill site. The current remedy consists of an operating pump-and-treat system, monitored natural attenuation (MNA), and institutional controls (ICs). Performance evaluations indicate that a prolonged restoration period is likely, as well as an asymptotic trend in uranium concentrations that still exceed the remediation goal. Multiple strategies and scenarios were evaluated before selecting a preferred site closure strategy. Recommendations were developed to support advancing the site towards closure over the next few years and guide the process of regulatory interactions and decision making at the MMTS OU III. Site closure is an important milestone that reflects successful remedial progress at LM sites. Post-closure site management would be maintained to ensure conditions are protective of human health and the environment. The site closure strategy was considered in the context of site remedial progress. The primary sources of groundwater contamination have been removed, including mill tailings and contaminated soils, sediment, and debris. Five-year reviews have regularly concluded that the remedy is protective of human health and environment and that ICs are effective in preventing exposure to contaminated groundwater. The affected aquifer is low-yielding and has no history of domestic use. In 2004, the final remedy selected in the Record of Decision (ROD) was MNA with ICs. However, a pump-and-treat system was installed and continues to operate as a contingency remedy in the area with the highest residual uranium concentrations. The need for a contingency pump-and-treat system was triggered by a departure of the long-term monitoring data from model projections that were used as the basis for remedy performance metrics specified in the ROD. In 2015, the pump-and-treat system was expanded. Average uranium concentrations have declined locally over time. However, monitoring data and column studies indicate that the system effectiveness will eventually become ineffective in reducing uranium concentrations, likely due to the reequilibration of uranium present in the solid matrix in various states (i.e., sorbed, precipitated). Currently, there are no agreed-upon metrics for discontinuing the contingency pump-and-treat system. Three closure strategies effectively applied at other CERCLA sites were considered at MMTS OU III: (1) restoring natural attenuation conditions and conducting MNA; (2) applying alternate concentration limits (ACLs); and (3) waiving a remedial goal based on technical impracticability (TI). Each closure strategy was evaluated in the following manner: (1) identifying the criteria and requirements associated with current regulations, policy, and guidance, (2) assessing the ability to meet those criteria based on the current site knowledge and the conceptual site model, and (3) identifying data gaps that need to be filled to further assess the closure strategy. Following this evaluation, a preferred closure strategy was selected: to transition to a remedy based on MNA and maintenance of ICs, without active remediation. Several scenarios for transitioning to the preferred closure strategy were identified. Each scenario consisted of 'if/then logic' associated with a larger decision diagram. The decision diagram considered the current conceptual site model (CSM) and potential outcomes of studies that will be conducted to fill data gaps, as well as the performance of the existing treatment system and long-term monitoring data. Two scenarios for transitioning to the preferred closure strategy were highlighted for future planning and were described in detail. For both scenarios, the preferred closure strategy includes demonstrating criteria for MNA acceptance, pump-and-treat termination, long-term monitoring, and eventual site delisting. Recommended actions over the next few years were also developed, including updating the CSM, conducting numerical modeling to predict remedial performance and time frames, conducting geochemical analyses to assess uranium fate and transport, and summarizing the lines of evidence and basis for MNA. This detailed example of the development of a site-specific closure strategy provides the thought process and decision logic used to assess uncertainty using an if/then framework; identify common elements and recommended actions to advance the site towards closure; and navigate the inherent uncertainty in the timing of future events, outcome of regulatory discussions, and remedial progress over time that is common to many complex US DOE facilities. In addition, the national regulations, policy, guidance, and state of practice regarding commonly used site closure strategies was summarized for consideration, including MNA, ACLs, and TI. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Uranium Mill Tailings Radiation Control Act Title II DOE Due Diligence and Lessons Learned from a Previous Site Transfer - 20352

Title II of the Uranium Mill Tailings Radiation Control Act (UMTRCA) established that a government agency will provide perpetual care for closed uranium and thorium ore-processing sites that were operating under an NRC source material license in 1978 or were licensed thereafter. Commercial owners (licensees) operating under an NRC or agreement state specific license when UMTRCA was passed are responsible for conducting reclamation of any byproduct material remaining from uranium-ore processing operations in accordance with an NRC or agreement state approved reclamation plan. Reclamation includes both surface and groundwater remedies. Upon completion of reclamation and approval by NRC, the site is required to be transferred to either the host state or the DOE for long-term surveillance and maintenance. Since UMTRCA's enactment, six Title II sites have been transferred to DOE; an additional 24 Title II sites are anticipated to be transferred before 2050. DoE's role mandated under UMTRCA Title II as the long-term care custodian is to perform 'monitoring, maintenance, and emergency measures necessary to protect the public health and safety.' UMTRCA requires that the licensee pay a long-term surveillance charge 'sufficient to cover the annual costs of site surveillance.' However, at some sites such as the Bluewater, New Mexico, Disposal Site, this mandate has required additional effort and expense by DOE, beyond the originally anticipated and intended scope within UMTRCA, but within the authority of DOE under UMTRCA. In 1997, the Bluewater site became the second UMTRCA Title II site to be transferred to DOE. The site was the location of a uranium mill operated from 1953 until 1982. The specific licensee began site reclamation in 1991, and by 1995 all tailings and contaminated materials were encapsulated in two tailings disposal cells and other disposal areas. In addition to surface contamination, milling activities impacted groundwater in the two upper aquifers. In 1989, the specific licensee attempted active groundwater remediation; however, no significant reduction in contaminant concentrations was observed. As a result, the specific licensee applied to NRC for alternate concentration limits (ACLs) in 1990, which were approved in 1996 as being protective, after additional corrective actions were performed. Since transfer of the Bluewater site to DOE, unforeseen challenges have occurred, requiring additional actions. The first challenge is the occurrence of surface depressions located on the northern section of the main tailings disposal cell. The depressions were first observed during DoE's initial inspection in 1998; however, evidence of these can be observed on satellite images taken prior to transfer. Since being first observed, the depressions have continued to grow both in depth and areal extent. Due to the design of the main tailings disposal cell, the depressions impede storm water from being effectively shed off the 101- hectare (250-acre) top slope of the main tailings disposal cell. Instead, storm water accumulates in the depressions, forming a large ephemeral pond that has stored up to 16.3 x 10{sup 6} liters (4.3 million gallons) of stormwater. The ponding poses a potential risk to the integrity of the main tailings disposal cell in the case of a large storm event, with the potential to cause the pond to overtop and erode the cover material and underlying waste. DOE has taken a number of short-term actions to monitor, measure, and reduce the ponding and is currently working with the US Army Corps of Engineers to design and construct a repair. Additional challenges are associated with groundwater at the Bluewater site. Nine wells were present on the 1335-hectare (3300-acre) site upon transfer. Groundwater compliance was called into question after the State of New Mexico reduced its uranium groundwater standard from 5.0 to 0.03 milligrams per liter in 2004, and when an ACL for uranium was exceeded in a site monitoring well in 2010. Acquiring historical groundwater data and subsequent evaluations as well as additional DOE groundwater monitoring led to installing 10 new monitoring wells and performing additional site hydrogeology recharacterization. DOE continues to evaluate groundwater conditions at the site and works with the NRC to determine regulatory requirements and a path forward. As a result of lessons learned at the Bluewater site and other Title II sites, improved processes have been implemented at a programmatic level to increase due diligence before site transfer and prevent similar issues from occurring at other UMTRCA Title II sites under long-term management. DoE's due diligence process is documented in the Process for Transition of UMTRCA Title II Disposal Sites to DOE for Long-Term Surveillance and Maintenance and is designed to ensure that DOE has no technical or compliance concerns with regulatory decisions that might compromise protectiveness following site transfer to DOE. Implementation of the due diligence process has increased DoE's role prior to site transfer and has been effective in identifying potential issues. Actions by NRC and specific licensees, in response to enhanced due diligence efforts by DOE, are expected to minimize, if not totally prevent, the need for unanticipated actions by DOE pertaining to the surface and groundwater remedies after site transfer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2014

Unit Testing and Remote Display Development

The Kennedy Space Center is currently undergoing an extremely interesting transitional phase. The final Space Shuttle mission, STS-135, was completed in July of 2011. NASA is now approaching a new era of space exploration. The development of the Orion Multi- Purpose Crew Vehicle (MPCV) and the Space Launch System (SLS) launch vehicle that will launch the Orion are currently in progress. An important part of this transition involves replacing the Launch Processing System (LPS) which was previously used to process and launch Space Shuttles and their associated hardware. NASA is creating the Spaceport Command and Control System (SCCS) to replace the LPS. The SCCS will be much simpler to maintain and improve during the lifetime of the spaceflight program that it will support. The Launch Control System (LCS) is a portion of the SCCS that will be responsible for launching the rockets and spacecraft. The Integrated Launch Operations Applications (ILOA) group of SCCS is responsible for creating displays and scripts, both remote and local, that will be used to monitor and control hardware and systems needed to launch a spacecraft. It is crucial that the software contained within be thoroughly tested to ensure that it functions as intended. Unit tests must be written in Application Control Language (ACL), the scripting language used by LCS. These unit tests must ensure complete code coverage to safely guarantee there are no bugs or any kind of issue with the software.

LCS↗
DOE OSTI2023

Antibiotic Treatment Prior to Injury Abrogates the Detrimental Effects of LPS in STR/ort Mice Susceptible to Osteoarthritis Development

Post traumatic osteoarthritis (PTOA) is a form of secondary osteoarthritis (OA) that develops in ~50% of cases of severe articular joint injuries and leads to chronic and progressive degradation of articular cartilage and other joint tissues. PTOA progression can be exacerbated by repeated injury and systemic inflammation. Few studies have examined approaches for blunting or slowing down PTOA progression with emphasis on systemic inflammation; most arthritis studies focused on the immune system have been in the context of rheumatoid arthritis. To examine how the gut microbiome affects systemic inflammation during PTOA development, we used a chronic antibiotic treatment regimen starting at weaning for 6 weeks before anterior cruciate ligament (ACL) rupture in STR/ort mice combined with lipopolysaccharide (LPS)-induced systemic inflammation. STR/ort mice develop spontaneous OA as well as a more severe PTOA phenotype than C57Bl/6J mice. By 6 weeks post injury, histological examination showed a more robust cartilage staining in the antibiotic-treated (AB) STR/ort mice than in the untreated STR/ort controls. Furthermore, we also examined the effects of AB treatment on systemic inflammation and found that the effects of LPS administration before injury are also blunted by AB treatment in STR/ort mice. The AB- or AB+LPS-treated STR/ort injured joints more closely resembled the C57Bl/6J VEH OA phenotypes than the vehicle- or LPS-treated STR/ort, suggesting that antibiotic treatment has the potential to slow disease progression and should be further explored therapeutically as prophylactic post injury.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

SOST/Sclerostin Improves Posttraumatic Osteoarthritis and Inhibits MMP2/3 Expression After Injury: SOST OVEREXPRESSION IMPROVES PTOA OUTCOMES

Patients with anterior cruciate ligament (ACL) rupture are two times as likely to develop posttraumatic osteoarthritis (PTOA). Annually, there are ~900,000 knee injuries in the United States, which account for ~12% of all osteoarthritis (OA) cases. PTOA leads to reduced physical activity, deconditioning of the musculoskeletal system, and in severe cases requires joint replacement to restore function. Therefore, treatments that would prevent cartilage degradation post-injury would provide attractive alternatives to surgery. Sclerostin (Sost), a Wnt antagonist and a potent negative regulator of bone formation, has recently been implicated in regulating chondrocyte function in OA. To determine whether elevated levels of Sost play a protective role in PTOA, we examined the progression of OA using a noninvasive tibial compression overload model in SOST transgenic (SOST TG ) and knockout (Sost -/- ) mice. Here we report that SOST TG mice develop moderate OA and display significantly less advanced PTOA phenotype at 16 weeks post-injury compared with wild-type (WT) controls and Sost -/- . In addition, SOST TG built ~50% and ~65% less osteophyte volume than WT and Sost -/- , respectively. Quantification of metalloproteinase (MMP) activity showed that SOSTTG had ~2-fold less MMP activation than WT or Sost-/-, and this was supported by a significant reduction in MMP2/3 protein levels, suggesting that elevated levels of SOST inhibit the activity of proteolytic enzymes known to degrade articular cartilage matrix. Furthermore, intra-articular administration of recombinant Sost protein, immediately post-injury, also significantly decreased MMP activity levels relative to PBS-treated controls, and Sost activation in response to injury was TNFα and NF-κB dependent. These results provide in vivo evidence that sclerostin functions as a protective molecule immediately after joint injury to prevent cartilage degradation.

Endocrinology & Metabolism↗
DOE OSTI2017

Osteophytes and fracture calluses share developmental milestones and are diminished by unloading

Osteophytes are a typical radiographic finding during osteoarthritis (OA), but the mechanisms leading to their formation are not well known. Comparatively, fracture calluses have been studied extensively; therefore, drawing comparisons between osteophytes and fracture calluses may lead to a deeper understanding of osteophyte formation. Here, we compared the time courses of osteophyte and fracture callus formation, and investigated mechanisms contributing to development of these structure. Additionally, we investigated the effect of mechanical unloading on the formation of both fracture calluses and osteophytes. Mice underwent either transverse femoral fracture or non-invasive anterior cruciate ligament rupture. Fracture callus and osteophyte size and ossification were evaluated after 3, 5, 7, 14, 21, or 28 days. Additional mice were subjected to hindlimb unloading after injury for 3, 7, or 14 days. Protease activity and gene expression profiles after injury were evaluated after 3 or 7 days of normal ambulation or hindlimb unloading using in vivo fluorescence reflectance imaging (FRI) and quantitative PCR. We found that fracture callus and osteophyte growth achieved similar developmental milestones, but fracture calluses formed and ossified at earlier time points. Hindlimb unloading ultimately led to a threefold decrease in chondro/osteophyte area, and a twofold decrease in fracture callus area. Unloading was also associated with decreased inflammation and protease activity in injured limbs detected with FRI, particularly following ACL rupture. qPCR analysis revealed disparate cellular responses in fractured femurs and injured joints, suggesting that fracture calluses and osteophytes may form via different inflammatory, anabolic, and catabolic pathways. © 2017 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 36:699–710, 2018.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2018

Flux crystal growth, structure, magnetic and optical properties of a family of alkali uranium(IV) phosphates

A family of alkali uranium(IV) phosphates, AU 2 (PO 4 ) 3 (A = Li – Cs), was synthesized as single crystals by the reaction of US 2 and (NH 4 ) 2 HPO 4 in the respective ACl (A = Li – Cs) flux contained in a sealed fused-silica tube at 850 °C, and as phase pure powders from a similar reaction using UF 4 as the uranium source. AU 2 (PO 4 ) 3 (A = Li – Rb) crystallize in the NaTh 2 (PO 4 ) 3 (NTP) structure type with monoclinic space group C2/c and consist of a 3D structure that features a framework composed of edge- and corner-sharing polyhedra. The cesium analogue, CsU 2 (PO 4 ) 3 , crystallizes in a different structure with space group P2 1 /n that is related to the NaZr 2 (PO 4 ) 3 (NZP) structure type and consists of a framework composed of corner-sharing polyhedra. Two new alkali uranium phosphates, Li 2 U(PO 4 ) 2 and Cs 4 U 4 (P 2 O 7 ) 5 , were also grown as single crystals at 700 °C. Li 2 U(PO 4 ) 2 was isolated in approximately 30% yield based on uranium. Li 2 U(PO 4 ) 2 crystallizes in space group P2 1 /c exhibiting a layered structure while Cs 4 U 4 (P 2 O 7 ) 5 , crystallizes in space group P2 1 /n in a new structure type featuring a 3D framework. Finally, the magnetic susceptibilities and the field dependent magnetizations were measured for AU 2 (PO 4 ) 3 (A = Li, Na, K and Cs); all compounds exhibited negative Weiss temperatures with no obvious antiferromagnetic transition. Optical properties were measured by UV–vis and IR spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effect of Background Electrolyte Composition on the Interfacial Formation of Th(IV) Nanoparticles on the Muscovite (001) Basal Plane

Understanding the impact of actinide nanoparticle (NP) formation is important to assess radionuclide mobility in the environment. We combined surface X-ray diffraction (SXRD) and in situ AFM to investigate the previously reported unusual electrolyte effects on Th uptake on mica. At low [Th] (0.1 mM), interfacial structures show a broad Th electron density (~50 Å). A linear decrease of Th uptake with decreasing hydration enthalpy of the electrolyte cation (Li+, K+, NH4+, and Cs+) indicates a competitive effect between Th and the electrolyte cation. Na+ is a clear outlier from this trend. In situ AFM imaging confirms the results. Particles show a vertical size of ~1–2 nm and larger lateral dimensions of ~10–20 nm, which is typical for particles formed at interfaces (heterogeneous nucleation). At high [Th] = 1 and 3 mM, all investigated electrolytes (ACl, A = Li+, Na+, K+) show similar Th uptake, indicating a much smaller impact of electrolyte composition. The interfacial structures are dominated by a high Th loading at a distinct distance (~6.5 Å) from the surface. Therefore, the main retention mechanism at high [Th] is suggested to be the sorption of Th NPs aggregated from Th oligomers present in solution (homogeneous nucleation).

Neumann, J↗
DOE OSTI2023

Boosting the interfacial superionic conduction of halide solid electrolytes for all-solid-state batteries

Designing highly conductive and (electro)chemical stable inorganic solid electrolytes using cost-effective materials is crucial for developing all-solid-state batteries. Here, we report halide nanocomposite solid electrolytes (HNSEs) ZrO 2 (-ACl)-A 2 ZrCl 6 (A = Li or Na) that demonstrate improved ionic conductivities at 30 °C, from 0.40 to 1.3 mS cm -1 and from 0.011 to 0.11 mS cm -1 for Li + and Na + , respectively, compared to A 2 ZrCl 6 , and improved compatibility with sulfide solid electrolytes. The mechanochemical method employing Li 2 O for the HNSEs synthesis enables the formation of nanostructured networks that promote interfacial superionic conduction. Via density functional theory calculations combined with synchrotron X-ray and 6 Li nuclear magnetic resonance measurements and analyses, we demonstrate that interfacial oxygen-substituted compounds are responsible for the boosted interfacial conduction mechanism. Compared to state-of-the-art Li 2 ZrCl 6 , the fluorinated ZrO 2 -2Li 2 ZrCl 5 F HNSE shows improved high-voltage stability and interfacial compatibility with Li 6 PS 5 Cl and layered lithium transition metal oxide-based positive electrodes without detrimentally affecting Li + conductivity. We also report the assembly and testing of a Li-In||LiNi 0.88 Co 0.11 Mn 0.01 O 2 all-solid-state lab-scale cell operating at 30 °C and 70 MPa and capable of delivering a specific discharge of 115 mAh g -1 after almost 2000 cycles at 400 mA g -1 .

36 MATERIALS SCIENCE↗
DOE OSTI2015

On the ultrafast charge migration and subsequent charge directed reactivity in Cl⋯N halogen-bonded clusters following vertical ionization

In this article, we have presented ultrafast charge transfer dynamics through halogen bonds following vertical ionization of representative halogen bonded clusters. Subsequent hole directed reactivity of the radical cations of halogen bonded clusters is also discussed. Furthermore, we have examined effect of the halogen bond strength on the electron-electron correlation- and relaxation-driven charge migration in halogen bonded complexes. For this study, we have selected A-Cl (A represents F, OH, CN, NH{sub 2}, CF{sub 3}, and COOH substituents) molecules paired with NH{sub 3} (referred as ACl:NH{sub 3} complex): these complexes exhibit halogen bonds. To the best of our knowledge, this is the first report on purely electron correlation- and relaxation-driven ultrafast (attosecond) charge migration dynamics through halogen bonds. Both density functional theory and complete active space self-consistent field theory with 6-31 + G(d, p) basis set are employed for this work. Upon vertical ionization of NCCl⋯NH{sub 3} complex, the hole is predicted to migrate from the NH{sub 3}-end to the ClCN-end of the NCCl⋯NH{sub 3} complex in approximately 0.5 fs on the D{sub 0} cationic surface. This hole migration leads to structural rearrangement of the halogen bonded complex, yielding hydrogen bonding interaction stronger than the halogen bonding interaction on the same cationic surface. Other halogen bonded complexes, such as H{sub 2}NCl:NH{sub 3}, F{sub 3}CCl:NH{sub 3}, and HOOCCl:NH{sub 3}, exhibit similar charge migration following vertical ionization. On the contrary, FCl:NH{sub 3} and HOCl:NH{sub 3} complexes do not exhibit any charge migration following vertical ionization to the D{sub 0} cation state, pointing to interesting halogen bond strength-dependent charge migration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Development and application of a real-time testbed for multiagent system interoperability: A case study on hierarchical microgrid control

This article presents the development and application of a real-time testbed for multiagent system interoperability. As utility independent private microgrids are installed constantly, standardized interoperability frameworks are required to define behavioral models of the individual agents for expandability and plug-and-play operation. In this paper, we propose a comprehensive hybrid agent framework combining the foundation for intelligent physical agents (FIPA), IEC 61850, and data distribution service (DDS) standards. The IEC 61850 logical node concept is extended using FIPA based agent communication language (ACL) with application specific attributes and deliberative behavior modeling capability. The DDS middleware is adopted to enable a real-time publisher-subscriber interoperability mechanism between platforms. The proposed multi-agent framework was validated in a laboratory based testbed involving developed intelligent electronic device (IED) prototypes and actual microgrid setups. Experimental results were demonstrated for both decentralized and distributed control approaches. Secondary and tertiary control levels of a microgrid were demonstrated for decentralized hierarchical control case study. A consensus-based economic dispatch case study was demonstrated as a distributed control example. Finally, it was shown that the developed agent platform is industrially applicable for actual smart grid field deployment.

97 MATHEMATICS AND COMPUTING↗