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At least 235 records · Page 13

Enumeration reduction algorithm for the characterization of multi-primary LED systems

Multi-primary tunable LED lighting systems can generate a vast number of spectral outputs, with the exact number depending on the resolution of the control signal and number of LED primaries. Computing all combinations to identify optimal spectral power distributions (SPDs) with a specified chromaticity would require a tremendous amount of time and computational power. Here, an enumeration reduction (ER) algorithm is described to reduce the computation time by defining a bounding pyramid in the three-dimensional tristimulus space that maps to the circumscribed square of the target region in the chromaticity diagram. This method enables computing only the necessary amount of tristimulus values (and resulting chromaticity coordinates) for SPDs that fall into a user-defined target chromaticity area, reducing computation time by avoiding the need to generate each combination and calculate its chromaticity coordinates. The results show that the proposed ER algorithm can greatly reduce the time – up to 922 times in a series of tests – to determine a set of metamers compared to a full enumeration computation.

47 OTHER INSTRUMENTATION↗

Optimal Traffic Signal Control Using Priority Metric Based on Real-Time Measured Traffic Information

Optimizing traffic control systems at traffic intersections can reduce network-wide fuel consumption as well as improve traffic flow. While traffic signals have conventionally been controlled based on predetermined schedules, various adaptive control systems have been developed recently using advanced sensors such as cameras, radars, and LiDARs. By utilizing rich traffic information enabled by the advanced sensors, more efficient or optimal traffic signal control is possible in response to varying traffic conditions. This paper proposes an optimal traffic signal control method to minimize network-wide fuel consumption utilizing real-time traffic information provided by advanced sensors. This new method employs a priority metric calculated by a weighted sum of various factors, including the total number of vehicles, total vehicle speed, vehicle waiting time, and road preference. Genetic Algorithm (GA) is used as a global optimization method to determine the optimal weights in the priority metric. In order to evaluate the effectiveness of the proposed method, a traffic simulation model is developed in a high-fidelity traffic simulation environment called SUMO, based on a real-world traffic network. The traffic flow within this model is simulated using actual measured traffic data from the traffic network, enabling a comprehensive assessment of the novel optimal traffic signal control method in realistic conditions. The simulation results show that the proposed priority metric-based real-time traffic signal control algorithm can significantly reduce network-wide fuel consumption compared to the conventional fixed-time control and coordinated actuated control methods that are currently used in the modeled network. Additionally, incorporating truck priority in the priority metric leads to further improvements in fuel consumption reduction.

47 OTHER INSTRUMENTATION↗

Pressure Loads Produced on a Flat-Plate Wing By Rocket Jets Exhausting in a Spanwise Direction Below the Wing and Perpendicular to a Free-Stream Flow of Mach Number 2.0

An investigation at a Reynolds number per foot of 14.4 x 10(exp 6) was made to determine the pressure loads produced on a flat-plate wing by rocket jets exhausting in a spanwise direction beneath the wing and perpendicular to a free-stream flow of Mach number 2.0. The ranges of the variables involved were (1) nozzle types - one sonic (jet Mach number of 1.00), two supersonic (jet Mach numbers of 1.74 and 3.04),. and one two-dimensional supersonic (jet Mach number of 1.71); (2) vertical nozzle positions beneath the wing of 4, 8 and 12 nozzle-throat diameters; and (3) ratios of rocket-chamber total pressure to free- stream static pressure from 0 to 130. The incremental normal force due to jet interference on the wing varied from one to two times the rocket thrust and generally decreased as the pressure ratio increased. The chordwise coordinate of the incremental-normal-force center of pressure remained upstream of the nozzle center line for the nozzle positions and pressure ratios of the investigation. The chordwise coordinate approached zero as the jet vertical distance beneath the wing increased. In the spanwise direction there was little change due to varying rocket-jet position and pressure ratio. Some boundary-layer flow separation on the wing was observed for the rocket jets close to the wing and at the higher pressure ratios. The magnitude of the chordwise and spanwise pressure distributions due to jet interference was greatest for rocket jets close to the wing and decreased as the jet was displaced farther from the wing. The design procedure for the rockets used is given in the appendix.

Falanga, Ralph A.↗

Confinement effects on the solvation structure of solvated alkaline metal cations in a single-digit 1T-MoS 2 nanochannel: A first-principles study

Confinement plays an important role in determining ion transport in porous materials, which, in turn, may influence the performance of many energy storage and desalination devices. In this work, we combined density functional theory (DFT) with an implicit solvation model and ab initio molecular dynamics (AIMD) to investigate the effects of nanoconfinement on several solvated alkaline metal cations in a single-digit 1T-MoS 2 nanochannel. Our DFT calculations with a solvation model indicated that cations with stronger hydration energy introduce a higher number of co-intercalated water molecules into the channel, consistent with early experimental observation obtained for MXene (2D transition metal carbide) channels. The predicted optimal water numbers for the cations were then used for AIMD simulations that explicitly include the effects of the solvent. When compared with the cations in bulk solution, our simulations showed that the hydration structure and coordination number (CN) of the solvated cations confined in the MoS 2 channel can be significantly altered. Further, we found that larger cations with weaker hydration energy (K + , Rb + , and Cs + ) exhibited a distinctive CN decrease under confinement, while smaller cations (Li + and Na + ) retained a similar hydration shell as in the bulk solution. More specifically, the hydration shell of large cations (K + , Rb + , and Cs + ) in MoS 2 showed similar features of the coordination angle to the bulk, which suggests the partially broken hydration shell with no geometry change under confinement. Our simulations provided insights into the change of the hydration structure of alkaline metal cations under confinement, which may have important implications on their transport in the 1T-MoS 2 channel.

36 MATERIALS SCIENCE↗

Autonomous Multi-Sensor Coordination: The Science Goal Monitor

Many dramatic earth phenomena are dynamic and coupled. In order to fully understand them, we need to obtain timely coordinated multi-sensor observations from widely dispersed instruments. Such a dynamic observing system must include the ability to Schedule flexibly and react autonomously to sciencehser driven events; Understand higher-level goals of a sciencehser defined campaign; Coordinate various space-based and ground-based resources/sensors effectively and efficiently to achieve goals. In order to capture transient events, such a 'sensor web' system must have an automated reactive capability built into its scientific operations. To do this, we must overcome a number of challenges inherent in infusing autonomy. The Science Goal Monitor (SGM) is a prototype software tool being developed to explore the nature of automation necessary to enable dynamic observing. The tools being developed in SGM improve our ability to autonomously monitor multiple independent sensors and coordinate reactions to better observe dynamic phenomena. The SGM system enables users to specify what to look for and how to react in descriptive rather than technical terms. The system monitors streams of data to identify occurrences of the key events previously specified by the scientisther. When an event occurs, the system autonomously coordinates the execution of the users' desired reactions between different sensors. The information can be used to rapidly respond to a variety of fast temporal events. Investigators will no longer have to rely on after-the-fact data analysis to determine what happened. Our paper describes a series of prototype demonstrations that we have developed using SGM and NASA's Earth Observing-1 (EO-1) satellite and Earth Observing Systems' Aqua/Terra spacecrafts' MODIS instrument. Our demonstrations show the promise of coordinating data from different sources, analyzing the data for a relevant event, autonomously updating and rapidly obtaining a follow-on relevant image. SGM was used to investigate forest fires, floods and volcanic eruptions. We are now identifying new Earth science scenarios that will have more complex SGM reasoning. By developing and testing a prototype in an operational environment, we are also establishing and gathering metrics to gauge the success of automating science campaigns.

Koratkar, Anuradha↗

Inverse kinematic-based robot control

A fundamental problem which must be resolved in virtually all non-trivial robotic operations is the well-known inverse kinematic question. More specifically, most of the tasks which robots are called upon to perform are specified in Cartesian (x,y,z) space, such as simple tracking along one or more straight line paths or following a specified surfacer with compliant force sensors and/or visual feedback. In all cases, control is actually implemented through coordinated motion of the various links which comprise the manipulator; i.e., in link space. As a consequence, the control computer of every sophisticated anthropomorphic robot must contain provisions for solving the inverse kinematic problem which, in the case of simple, non-redundant position control, involves the determination of the first three link angles, theta sub 1, theta sub 2, and theta sub 3, which produce a desired wrist origin position P sub xw, P sub yw, and P sub zw at the end of link 3 relative to some fixed base frame. Researchers outline a new inverse kinematic solution and demonstrate its potential via some recent computer simulations. They also compare it to current inverse kinematic methods and outline some of the remaining problems which will be addressed in order to render it fully operational. Also discussed are a number of practical consequences of this technique beyond its obvious use in solving the inverse kinematic question.

Wolovich, W. A.↗

A FFT Method for the Quasiclassical Selection of Initial Ro-Vibrational States of Triatomic Molecules

This paper describes the use of an exact fast Fourier transform (FFT) method to prepare specified vibrational-rotational states of triatomic molecules. The method determines the Fourier coefficients needed to describe the coordinates and momenta of a vibrating-rotating triatomic molecule. Once the Fourier coefficients of a particular state are determined, it is possible to easily generate as many random sets of initial cartesian coordinates and momenta as desired. All the members of each set will correspond to the particular vibrational-rotational state selected. For example, in the case of the ground vibrational state of a non-rotating water molecule, the calculated actions of 100 sets of initial conditions produced actions within 0.001 h(bar) of the specified quantization values and energies within 5 cm(sup -1) of the semiclassical eigenvalue. The numerical procedure is straightforward for states in which all the fundamental frequencies are independent. However for states for which the fundamental frequencies become commensurate (resonance states), there are additional complications. In these cases it is necessary to determine a new set of "fundamental" frequencies and to modify the quantization conditions. Once these adjustments are made, good results are obtained for resonance states. The major problems are in labelling the large number of Fourier coefficients and the presence of regions of chaotic motion. Results are presented for the vibrational states of H2O and HCN and the ro-vibrational states of H2O.

Eaker, Charles W.↗

Results from the ASTERIA CubeSat Extended Mission Experiments

Over the past two years, JPL has used the ASTERIA (Arcsecond Space Telescope Enabling Research In Astrophysics) CubeSat as an in-flight test platform during extended missions. ASTERIA successfully completed its prime mission in early 2018, and continued to operate in low Earth orbit (LEO) for an additional twenty months. This paper describes demonstrations that were performed on the spacecraft and on the ground-based testbed during the extended mission. These demonstrations fall into three categories: Autonomy technology maturation, hardware characterization, and science discovery. Autonomy technology maturation supported three development efforts. The first shifted the spacecraft commanding paradigm from time-based sequences to Task Networks (tasknets), which allow simpler commanding and more robust onboard execution. The second demonstrated onboard orbit determination in Low Earth Orbit (LEO) without GPS. This activity used a fully-independent means of spacecraft orbit determination for Earth orbiters using only passive imaging. The third technology provided in situ hardware health state estimation using a model-based reasoning technique. These three technologies were demonstrated either in flight or on the testbed individually, and then were combined to demonstrate the capability to perform autonomous navigation on board without ground intervention, even in the presence of anomalies. Hardware characterization involved both onboard and ground-based activities. On board, nonstandard attitude control modes were commanded to characterize the spacecraft pointing jitter as a function of target brightness, reaction wheel speed, controller gain, and the number of guide stars. The results provide insights into the contribution of jitter to the ASTERIA photometry and inform the feasibility of future astrophysics small satellite missions for which jitter control is an enabling technology. On the ground, the ASTERIA Operations Team coordinated with Amazon Web Services (AWS) to configure their new ground stations to communicate with ASTERIA to prove out their viability. ASTERIA used AWS ground stations for nominal operations for the last four months of the mission. Finally, ASTERIA continued to perform exoplanet science as the spacecraft was well-suited to execute long-term monitoring of stars such as alpha Centauri to search for small transiting planets. The science team also imaged a number of interesting objects including a comet, an asteroid, cities at night, and the moon, and coordinated with other projects on Targets of Opportunity for follow-up confirmations and co-observations. Throughout the prime and the extended missions, the ASTERIA spacecraft proved to be a mighty platform that “will go into history as an innovative milestone.”[1 - Zurbuchen]

Doran, Patrick↗

Dynamic interactions between hypersonic vehicle aerodynamics and propulsion system performance

Described here is the development of a flexible simulation model for scramjet hypersonic propulsion systems. The primary goal is determination of sensitivity of the thrust vector and other system parameters to angle of attack changes of the vehicle. Such information is crucial in design and analysis of control system performance for hypersonic vehicles. The code is also intended to be a key element in carrying out dynamic interaction studies involving the influence of vehicle vibrations on propulsion system/control system coupling and flight stability. Simple models are employed to represent the various processes comprising the propulsion system. A method of characteristics (MOC) approach is used to solve the forebody and external nozzle flow fields. This results in a very fast computational algorithm capable of carrying out the vast number of simulation computations needed in guidance, stability, and control studies. The three-dimensional fore- and aft body (nozzle) geometry is characterized by the centerline profiles as represented by a series of coordinate points and body cross-section curvature. The engine module geometry is represented by an adjustable vertical grid to accommodate variations of the field parameters throughout the inlet and combustor. The scramjet inlet is modeled as a two-dimensional supersonic flow containing adjustable sidewall wedges and multiple fuel injection struts. The inlet geometry including the sidewall wedge angles, the number of injection struts, their sweepback relative to the vehicle reference line, and strut cross-section are user selectable. Combustion is currently represented by a Rayleigh line calculation including corrections for variable gas properties; improved models are being developed for this important element of the propulsion flow field. The program generates (1) variation of thrust magnitude and direction with angle of attack, (2) pitching moment and line of action of the thrust vector, (3) pressure and temperature distributions throughout the system, and (4) performance parameters such as thrust coefficient, specific impulse, mass flow rates, and equivalence ratio. Preliminary results are in good agreement with available performance data for systems resembling the NASP vehicle configuration.

Flandro, G. A.↗

BOREAS HYD-1 Soil Hydraulic Properties

The Boreal Ecosystem-Atmosphere Study (BOREAS) Hydrology (HYD)-1 team coordinated a program of data collection to measure and monitor soil properties in collaboration with other science team measurement needs. This data set contains soil hydraulic properties determined at the Northern Study Area (NSA) and Southern Study Area (SSA) flux tower sites based on analysis of in situ tension infiltrometer tests and laboratory-determined water retention from soil cores collected during the 1994-95 field campaigns. Results from this analysis are saturated hydraulic conductivity, and fitting parameters for the van Genuchten-Mualem soil hydraulic conductivity and water retention function at flux tower sites. The data are contained in tabular ASCII files. The HYD-01 soil hydraulic properties data are available from the Earth Observing System Data and Information System (EOSDIS) Oak Ridge National Laboratory (ORNL) Distributed Active Archive Center (DAAC). The data files are available on a CD-ROM (see document number 20010000884).

Hall, Forrest G.↗

Implementation of the NCAR Community Land Model (CLM) in the NASA/NCAR finite-volume Global Climate Model (fvGCM)

In this study, the NCAR CLM version 2.0 land-surface model was integrated into the NASA/NCAR fvGCM. The CLM was developed collaboratively by an open interagency/university group of scientists and based on well-proven physical parameterizations and numerical schemes that combine the best features of BATS, NCAR-LSM, and IAP94. The CLM design is a one-dimensional point model with 1 vegetation layer, along with sub-grid scale tiles. The features of the CLM include 10-uneven soil layers with water, ice, and temperature states in each soil layer, and five snow layers, with water flow, refreezing, compaction, and aging allowed. In addition, the CLM utilizes two-stream canopy radiative transfer, the Bonan lake model and topographic enhanced streamflow based on TOPMODEL. The DAO fvGCM uses a genuinely conservative Flux-Form Semi-Lagrangian transport algorithm along with terrain- following Lagrangian control-volume vertical coordinates. The physical parameterizations are based on the NCAR Community Atmosphere Model (CAM-2). For our purposes, the fvGCM was run at 2 deg x 2.5 deg horizontal resolution with 55 vertical levels. The 10-year climate from the fvGCM with CLM2 was intercompared with the climate from fvGCM with LSM, ECMWF and NCEP. We concluded that the incorporation of CLM2 did not significantly impact the fvGCM climate from that of LSM. The most striking difference was the warm bias in the CLM2 surface skin temperature over desert regions. We determined that the warm bias can be partially attributed to the value of the drag coefficient for the soil under the canopy, which was too small resulting in a decoupling between the ground surface and the canopy. We also discovered that the canopy interception was high compared to observations in the Amazon region. A number of experiments were then performed focused on implementing model improvements. In order to correct the warm bias, the drag coefficient for the soil under the canopy was considered a function of LAI (Leaf Area Index). Analysis of the results revealed that there was a substantial impact, and the warm and dry bias in the CLM2 was significantly reduced. For the interception scheme, the canopy throughfall was increased to allow for more infiltration of precipitation into the soil, resulting in increased low-level moisture and a decrease in the interception loss ratio (canopy evaporation to precipitation).

Radakovich, Jon D.↗

Hierarchical Model-Free Transactional Control of Building Loads to Support Grid Services

A transition from generation on demand to consumption on demand is one of the solutions to overcome the many limitations associated with the higher penetration of renewable energy sources. Such a transition, however, requires a considerable amount of load flexibility in the demand side. Demand response (DR) programs can reveal and utilize this demand flexibility by enabling the participation of a large number of grid-interactive efficient buildings (GEB). Existing approaches on DR require significant modelling or training efforts, are computationally expensive, and do not guarantee the satisfaction of end users. To address the aforementioned limitations, this software code considers a scalable hierarchical model-free transactional control approach that incorporates elements of virtual battery, game theory, and model-free control (MFC) mechanisms. The developed approach separates the control mechanism into upper and lower levels. The MFC modulates the flexible GEB in the lower level with guaranteed thermal comfort of end users in response to the optimal pricing and power signals determined in the upper layer using a Stackelberg game integrated with aggregate virtual battery constraints. Additionally, the usage of MFC necessitates less burdensome computational and communication requirements, thus, it is easily deployable even on small, embedded devices. This software code enables the use of residential and small-size commercial buildings to offer a potentially substantial source of ancillary grid services that are currently underutilized. A hierarchical, model-free transactive building control provides a smooth interface between the grid service requests of utilities and the reliable control required by participating buildings. Model-free control, which supports distributed control architecture, will be a more scalable solution that can be deployed in neighborhood-size systems as well as individual buildings. The proposed approach contributes to the body of knowledge on two main aspects. First, it couples the MFC with the game-theoretic control and proposes a scalable model-free transactive control approach. MFC does not require any modeling effort or model training for the various building loads. This is very beneficial since deriving an accurate model for every single unit participating in DR programs and obtaining all the parameters about the units (e.g., thermal coefficients, standby losses) are infeasible. Also, MFC is computationally efficient, easily deployable even on small, embedded devices, and can be implemented in real time. Second, it integrates the concept of virtual battery into DR via the Stackelberg game. The concept of virtual battery enables efficient coordination and aggregation of a large number of flexible GEB with guaranteed thermal comfort of end users.

Olama, Mohammed [Oak Ridge National Lab. (ORNL), O↗

Polar decomposition for attitude determination from vector observations

This work treats the problem of weighted least squares fitting of a 3D Euclidean-coordinate transformation matrix to a set of unit vectors measured in the reference and transformed coordinates. A closed-form analytic solution to the problem is re-derived. The fact that the solution is the closest orthogonal matrix to some matrix defined on the measured vectors and their weights is clearly demonstrated. Several known algorithms for computing the analytic closed form solution are considered. An algorithm is discussed which is based on the polar decomposition of matrices into the closest unitary matrix to the decomposed matrix and a Hermitian matrix. A somewhat longer improved algorithm is suggested too. A comparison of several algorithms is carried out using simulated data as well as real data from the Upper Atmosphere Research Satellite. The comparison is based on accuracy and time consumption. It is concluded that the algorithms based on polar decomposition yield a simple although somewhat less accurate solution. The precision of the latter algorithms increase with the number of the measured vectors and with the accuracy of their measurement.

Bar-Itzhack, Itzhack Y.↗

Metal (Fe, Cu, and As) transformation and association within secondary minerals in neutralized acid mine drainage characterized using X-ray absorption spectroscopy

The formation and transformation of secondary minerals in areas affected by neutralized acid mine drainage (AMD) determine the behavior of toxic elements. To better understand the binding form of toxic elements in the secondary minerals, we focused on the distribution of secondary precipitates and heavy metals in neutralized AMD near a typical Cu-polymetallic deposit located in central Tibet. Compared to background values, the average heavy metal (As, Cu, Co, Cu, Mo, Pb, and Zn) content is higher in sediments close to the neutralized AMD drain. X-ray absorption spectroscopy (XAS) characterization shows the Fe in the suspended particulate matter (SPM) first aggregate as small Fe(III) octahedra clusters and then precipitate as ferrihydrite along the river. The XAS results also show the by-products of neutralization-ferrihydrite and sulfate-are the primary forms of Fe and S in the sediments, respectively. Gypsum retains Cu in the sediments via structural fixation, surface adsorption, and surface coprecipitation. The difference of Cu-O coordination number between the SPM and the sediments reveals the Cu sulfate coprecipitation on the surface of gypsum accompanied by SPM transporting along the river. XAS results confirm that ferrihydrite act as an essential sink for heavy metals, especially As. As (III) mineral in the sediment near the neutralized AMD outfall is dissolved and oxidized to arsenate downstream, which then adsorb to ferrihydrite and/or form As(V)-Fe minerals along the river. Gypsum and ferrihydrite have the potential to release heavy metals with changes in water chemistry, which may pose a threat to the safety of drinking water for downstream residents. These results deepen the understanding of the influence of secondary minerals (especially gypsum and ferrihydrite) on the migration and transformation process of heavy metal pollutants in mine drainage system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Finite-Temperature Structures of Supported Subnanometer Catalysts Inferred via Statistical Learning and Genetic Algorithm-Based Optimization

Single-atom catalysts (SACs) minimize noble metal utilization and can alter the activity and selectivity of supported metal nanoparticles. However, the morphology of active centers, including single atoms and subnanometer clusters of a few atoms, remains elusive due to experimental challenges. The computational cost to describe numerous cluster shapes and sizes makes direct first-principles calculations impractical. We present a computational framework to enable structure determination for single-atom and subnanometer cluster catalysts. As a case study, we obtained the low energy structures of Pd n (n = 1-21) clusters supported on CeO 2 (111), which are critical components of automobile three-way catalysts. Trained on density functional theory data, a three-dimensional cluster expansion is established using statistical learning to describe the Hamiltonian and predict energies of supported Pdn clusters of any structure. Low energy stable and metastable structures are identified using a Metropolis Monte Carlo-based genetic algorithm in the canonical ensemble at 300 K. We observe that supported single atoms sinter to form bilayer clusters and large cluster isomers share similarities in both shape and energy, and elucidate the significance of the support and microstructure on cluster stability. We discovered a simple surrogate structure-energy model, where the energy per atom scales with the square root of the average first coordination number, which can be used to estimate energies and compare the stability of clusters. Our framework, applicable to any metal/support system, fills an important methodological gap to predict the stability of supported metal catalysts in the subnanometer regime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analyzing Aeroelastic Stability of a Tilt-Rotor Aircraft

Proprotor Aeroelastic Stability Analysis, now at version 4.5 (PASTA 4.5), is a FORTRAN computer program for analyzing the aeroelastic stability of a tiltrotor aircraft in the airplane mode of flight. The program employs a 10-degree- of-freedom (DOF), discrete-coordinate, linear mathematical model of a rotor with three or more blades and its drive system coupled to a 10-DOF modal model of an airframe. The user can select which DOFs are included in the analysis. Quasi-steady strip-theory aerodynamics is employed for the aerodynamic loads on the blades, a quasi-steady representation is employed for the aerodynamic loads acting on the vibrational modes of the airframe, and a stability-derivative approach is used for the aerodynamics associated with the rigid-body DOFs of the airframe. Blade parameters that vary with the blade collective pitch can be obtained by interpolation from a user-defined table. Stability is determined by examining the eigenvalues that are obtained by solving the coupled equations of motions as a matrix eigenvalue problem. Notwithstanding the relative simplicity of its mathematical foundation, PASTA 4.5 and its predecessors have played key roles in a number of engineering investigations over the years.

Kvaternil, Raymond G.↗

Single-ion magnetism in the extended solid-state: insights from X-ray absorption and emission spectroscopy

Large single-ion magnetic anisotropy is observed in lithium nitride doped with iron. The iron sites are two-coordinate, putting iron doped lithium nitride amongst a growing number of two coordinate transition metal single-ion magnets (SIMs). Uniquely, the relaxation times to magnetisation reversal are over two orders of magnitude longer in iron doped lithium nitride than other 3d-metal SIMs, and comparable with high-performance lanthanide-based SIMs. To understand the origin of these enhanced magnetic properties a detailed characterisation of electronic structure is presented. Access to dopant electronic structure calls for atomic specific techniques, hence a combination of detailed single-crystal X-ray absorption and emission spectroscopies are applied. Together K-edge, L 2,3 -edge and Kβ X-ray spectroscopies probe local geometry and electronic structure, identifying iron doped lithium nitride to be a prototype, solid-state SIM, clean of stoichiometric vacancies where Fe lattice sites are geometrically equivalent. Extended X-ray absorption fine structure and angular dependent single-crystal X-ray absorption near edge spectroscopy measurements determine Fe I dopant ions to be linearly coordinated, occupying a D 6h symmetry pocket. The dopant engages in strong 3dπ-bonding, resulting in an exceptionally short Fe–N bond length (1.873(7) Å) and rigorous linearity. It is proposed that this structure protects dopant sites from Renner–Teller vibronic coupling and pseudo Jahn–Teller distortions, enhancing magnetic properties with respect to molecular-based linear complexes. The Fe ligand field is quantified by L 2,3 -edge XAS from which the energy reduction of 3d z 2 due to strong 4s mixing is deduced. Quantification of magnetic anisotropy barriers in low concentration dopant sites is inhibited by many established methods, including far-infrared and neutron scattering. We deduce variable temperature L 3 -edge XAS can be applied to quantify the J = 7/2 magnetic anisotropy barrier, 34.80 meV (~280 cm –1 ), that corresponds with Orbach relaxation via the first excited, M J = ±5/2 doublet. The results demonstrate that dopant sites within solid-state host lattices could offer a viable alternative to rare-earth bulk magnets and high-performance SIMs, where the host matrix can be tailored to impose high symmetry and control lattice induced relaxation effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The GLACE-2 Experiment

A major motivation for the study of the coupled land-atmosphere system is the idea that soil moisture anomalies may affect future meteorological variables through their effects on future surface energy and water budgets. If true, the accurate initialization of soil moisture in a subseasonal or seasonal forecast system may improve forecast skill, making the forecast products more valuable to society. The Global Land-Atmosphere Coupling Experiment (GLACE-2) project is examining, with a wide variety of models, the degree to which subseasonal (out to two months) precipitation and air temperature forecasts improve through the realistic initialization of soil moisture. For the first time ever, a global consensus should emerge regarding the value of land initialization for forecasts, perhaps motivating national forecast centers to make full use of land moisture initialization in their operations. Participants in GLACE-2 perform two series of forecasts, each consisting of 100 2-month forecast ensembles (10 members per ensemble) covering ten boreal spring and summer start-dates in each of the years 1986-1995. Series 1 utilizes realistic land surface state initialization, provided through a decadal offline simulation using realistic meteorological forcing, as provided by the Global Soil Wetness Project - Phase 2 (GSWP-2), a research activity of the Global Land-Atmosphere System Study (GLASS) of GEWEX. Series 2 is identical to Series 1 in every way except for the fact that it does not benefit from realistic land state initialization. Through the comparison of Series 1 and 2, we isolate the impact of land initialization on the forecasts. Optional extensions to these base runs include forecasts covering additional years, using alternative meteorological forcing for the land initialization. To date, GLACE-2 has garnered participation from eleven modeling groups, covering 13 atmospheric models. Analysis of available results is already well underway, both at the individual modeling institutions and at the NASA Goddard Space Flight Center, which is coordinating the project. Analysis focuses on two elements of the forecast problem: (i) the quantification of model-specific "predictability" (i.e., the degree to which simulated atmospheric chaos will foil a forecast, even under the assumption of"perfect" model physics, initialization data, and validation data) and its decay with time; and (ii) the quantification of forecast skill, determined through a comparison of predicted precipitation and air temperature against observations. Indeed, the specific contribution of land initialization to both these elements is isolated through a comparison of the Series 1 and 2 forecasts. We examine the two elements at four different forecast leads: 1-15, 16-30, 31-45, and 46-60 days. Statistics-based approaches for enhancing skill (essentially using observational statistics to reduce the impact of the models' climatic biases) are also tested. In the present talk, we provide an update of progress in GLACE-2, featuring quantifications of predictability and forecast skill for a number of the participating models and providing a "first look" at the desired consensus view of land impacts on subseasonal forecasts.

Koster, Randal↗